CAS
908287-21-8 Purity
96%
908287-21-8 Purity
96%
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6-Quinolin-4-yl-nicotinic acid
CAS
908297-79-0
Catalog Number
ACM908297790
Category
Other Products
Molecular Weight
250.3
Molecular Formula
C15H10N2O3
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Specification
Synonyms
908297-79-0, SureCN503140, CTK5G8488, AG-H-72736, 1,3-BIS(5-CARBOXYPYRIDIN-2-YL)BENZENE, 1,3-BIS(5-CARBOXY(PYRIDIN-2-YL))BENZENE
IUPAC Name
6-[3-(5-carboxypyridin-2-yl)phenyl]pyridine-3-carboxylic acid
InChI Key
XQWBCMOMUOHVIA-UHFFFAOYSA-N
Exact Mass
320.08000
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of 6-Quinolin-4-yl-nicotinic acid?
The molecular formula is C18H12N2O4.
What is the molecular weight of 6-Quinolin-4-yl-nicotinic acid?
The molecular weight is 320.3 g/mol.
When was 6-Quinolin-4-yl-nicotinic acid created?
It was created on October 30, 2011.
When was 6-Quinolin-4-yl-nicotinic acid last modified?
It was last modified on December 30, 2023.
What is the IUPAC name of 6-Quinolin-4-yl-nicotinic acid?
The IUPAC name is 6-[3-(5-carboxypyridin-2-yl)phenyl]pyridine-3-carboxylic acid.
What is the InChI of 6-Quinolin-4-yl-nicotinic acid?
The InChI is InChI=1S/C18H12N2O4/c21-17(22)13-4-6-15(19-9-13)11-2-1-3-12(8-11)16-7-5-14(10-20-16)18(23)24/h1-10H,(H,21,22)(H,23,24).
What is the InChIKey of 6-Quinolin-4-yl-nicotinic acid?
The InChIKey is XQWBCMOMUOHVIA-UHFFFAOYSA-N.
What is the canonical SMILES of 6-Quinolin-4-yl-nicotinic acid?
The canonical SMILES is C1=CC(=CC(=C1)C2=NC=C(C=C2)C(=O)O).
What are the computed properties of 6-Quinolin-4-yl-nicotinic acid?
The computed properties include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound is canonicalized.
Is 6-Quinolin-4-yl-nicotinic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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