5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid

C13H9BrN4O2 — CID 107793033

IUPAC5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Nc2ncc(C(=O)O)cc2N)c(Br)c1
InChIInChI=1S/C13H9BrN4O2/c14-9-3-7(5-15)1-2-11(9)18-12-10(16)4-8(6-17-12)13(19)20/h1-4,6H,16H2,(H,17,18)(H,19,20)
InChIKeyWXLOSDAGSLNHHC-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.74
Rot. Bonds3

About 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid

5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid (PubChem CID 107793033) has the molecular formula C13H9BrN4O2 and a molecular weight of 333.15 g/mol. Its IUPAC name is 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
PubChem CID107793033
Molecular FormulaC13H9BrN4O2
Molecular Weight333.15 g/mol
Exact Mass331.99
IUPAC Name5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Nc2ncc(C(=O)O)cc2N)c(Br)c1
InChIInChI=1S/C13H9BrN4O2/c14-9-3-7(5-15)1-2-11(9)18-12-10(16)4-8(6-17-12)13(19)20/h1-4,6H,16H2,(H,17,18)(H,19,20)
InChIKeyWXLOSDAGSLNHHC-UHFFFAOYSA-N
XLogP2.74
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
3-amino-4-(2-bromo-4-cyanoanilino)benzamide
CID 107787268
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
CID 107795143
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107791200
2-amino-5-(2-bromo-4-cyanoanilino)-4-fluorobenzoic acid
CID 107793023
4-amino-3-(2-bromo-4-cyanoanilino)benzamide
CID 107787252
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
CID 107793040
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid
CID 167448619

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid (CID 107793033) is 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid is N#Cc1ccc(Nc2ncc(C(=O)O)cc2N)c(Br)c1.
What is the InChIKey of 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid?
The InChIKey is WXLOSDAGSLNHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O2/c14-9-3-7(5-15)1-2-11(9)18-12-10(16)4-8(6-17-12)13(19)20/h1-4,6H,16H2,(H,17,18)(H,19,20).
What are the key properties of 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid?
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid has a molecular weight of 333.15 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107793033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).