4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid

C8H5F2N3O2 — CID 118829125

IUPAC4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESN#Cc1c(N)cc(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H5F2N3O2/c9-7(10)5-1-4(12)3(2-11)6(13-5)8(14)15/h1,7H,(H2,12,13)(H,14,15)
InChIKeyQCPAZXUFVOOPHX-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.17
Rot. Bonds2

About 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid

4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118829125) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID118829125
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESN#Cc1c(N)cc(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H5F2N3O2/c9-7(10)5-1-4(12)3(2-11)6(13-5)8(14)15/h1,7H,(H2,12,13)(H,14,15)
InChIKeyQCPAZXUFVOOPHX-UHFFFAOYSA-N
XLogP1.17
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071335
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
2-(bromomethyl)-3-cyano-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 130078991
4-amino-6-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 118823020
4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 152778193
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118993248
methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
4-amino-3-cyanopyridine-2-carboxylic acid
CID 118812153
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
CID 119016503
2-amino-6-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130103307
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118838596

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid (CID 118829125) is 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid is N#Cc1c(N)cc(C(F)F)nc1C(=O)O.
What is the InChIKey of 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is QCPAZXUFVOOPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c9-7(10)5-1-4(12)3(2-11)6(13-5)8(14)15/h1,7H,(H2,12,13)(H,14,15).
What are the key properties of 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid?
4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 213.14 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118829125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).