5-amino-6-cyanopyridine-3-carboxylic acid

C7H5N3O2 — CID 130777741

IUPAC5-amino-6-cyanopyridine-3-carboxylic acid
SMILESN#Cc1ncc(C(=O)O)cc1N
InChIInChI=1S/C7H5N3O2/c8-2-6-5(9)1-4(3-10-6)7(11)12/h1,3H,9H2,(H,11,12)
InChIKeyKPJHGIPWVYDKAV-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.23
Rot. Bonds1

About 5-amino-6-cyanopyridine-3-carboxylic acid

5-amino-6-cyanopyridine-3-carboxylic acid (PubChem CID 130777741) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 5-amino-6-cyanopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-cyanopyridine-3-carboxylic acid
PubChem CID130777741
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name5-amino-6-cyanopyridine-3-carboxylic acid
SMILESN#Cc1ncc(C(=O)O)cc1N
InChIInChI=1S/C7H5N3O2/c8-2-6-5(9)1-4(3-10-6)7(11)12/h1,3H,9H2,(H,11,12)
InChIKeyKPJHGIPWVYDKAV-UHFFFAOYSA-N
XLogP0.23
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-diaminopyridine-3-carboxylic acid
CID 22476298
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
CID 81439996
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid
CID 167448619
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane
CID 167448618
3,4-diamino-5-cyanobenzoic acid
CID 131052899
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
2-aminopyrimidine-5-carboxylic acid
CID 7020367
5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid
CID 82469001
5-amino-6-(cyclooctylamino)pyridine-3-carboxylic acid
CID 81438891

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyanopyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-cyanopyridine-3-carboxylic acid (CID 130777741) is 5-amino-6-cyanopyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-cyanopyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-cyanopyridine-3-carboxylic acid is N#Cc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-cyanopyridine-3-carboxylic acid?
The InChIKey is KPJHGIPWVYDKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-2-6-5(9)1-4(3-10-6)7(11)12/h1,3H,9H2,(H,11,12).
What are the key properties of 5-amino-6-cyanopyridine-3-carboxylic acid?
5-amino-6-cyanopyridine-3-carboxylic acid has a molecular weight of 163.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-cyanopyridine-3-carboxylic acid is sourced from PubChem (CID 130777741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).