CAS
98084-96-9 Purity
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98084-96-9 Purity
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4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)-
CAS
98088-04-1
Catalog Number
ACM98088041
Category
Other Products
Molecular Weight
228.68
Molecular Formula
C10H12N2O2
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Specification
Synonyms
2-pyrrolidin-1-ylisonicotinic acid, MolPort-000-006-260, HMS1699G12, ALBB-005482, ZERO/009390, 2-Pyrrolidin-1-yl-isonicotinic acid, STK503435, ZINC02527392, BAS 10154001, CID6484236, 2-(pyrrolidin-1-yl)pyridine-4-carboxylic acid, P67433, 98088-04-1
IUPAC Name
2-pyrrolidin-1-ylpyridine-4-carboxylic acid
Canonical SMILES
C1CCN(C1)C2=NC=CC(=C2)C(=O)O
InChI Key
PQLHQGBNMJTAEH-UHFFFAOYSA-N
Boiling Point
473ºC at 760mmHg
Melting Point
211ºC
Flash Point
239.9ºC
Density
1.283g/cm³
Exact Mass
192.09000
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The molecular formula is C10H12N2O2.
What is the molecular weight of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The molecular weight is 192.21 g/mol.
What is the IUPAC name of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The IUPAC name is 2-pyrrolidin-1-ylpyridine-4-carboxylic acid.
What is the InChI of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The InChI is InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14).
What is the InChIKey of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The InChIKey is PQLHQGBNMJTAEH-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The canonical SMILES is C1CCN(C1)C2=NC=CC(=C2)C(=O)O.
What is the CAS number of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The CAS number is 98088-04-1.
What is the XLogP3-AA value of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The XLogP3-AA value is 1.3.
What is the hydrogen bond donor count of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The hydrogen bond donor count is 1.
What is the hydrogen bond acceptor count of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?
The hydrogen bond acceptor count is 4.
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CAS
98088-66-5 Purity
96%
98088-66-5 Purity
96%
