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4-Iodo-2,7-naphthyridin-1-amine

CAS
959558-53-3
Catalog Number
ACM959558533
Category
Other Products
Molecular Weight
271.057810 [g/mol]
Molecular Formula
C8H6IN3

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Specification

Synonyms
4-Iodo-2,7-naphthyridin-1-amine, AK-38029, 959558-53-3
IUPAC Name
4-iodo-2,7-naphthyridin-1-amine
Canonical SMILES
C1=CN=CC2=C1C(=CN=C2N)I
InChI Key
DPGNVYNBWBRINQ-UHFFFAOYSA-N
Boiling Point
430.932ºC at 760 mmHg
Flash Point
214.42ºC
Density
2.018g/cm³
Exact Mass
270.96100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?

The molecular formula is C8H6IN3.

What is the molecular weight of the compound?

The molecular weight is 271.06 g/mol.

When was the compound created?

The compound was created on December 26, 2013.

When was the compound last modified?

The compound was last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-iodo-2,7-naphthyridin-1-amine.

What is the InChI of the compound?

The InChI is InChI=1S/C8H6IN3/c9-7-4-12-8(10)6-3-11-2-1-5(6)7/h1-4H,(H2,10,12).

What is the InChIKey of the compound?

The InChIKey is DPGNVYNBWBRINQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CN=CC2=C1C(=CN=C2N)I.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

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