2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

C9H6F2N2O3 — CID 130076972

IUPAC2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESN#Cc1nc(CC(=O)O)c(C(F)F)cc1O
InChIInChI=1S/C9H6F2N2O3/c10-9(11)4-1-7(14)6(3-12)13-5(4)2-8(15)16/h1,9,14H,2H2,(H,15,16)
InChIKeyBVOFHVCTMJUVNG-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.22
Rot. Bonds3

About 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (PubChem CID 130076972) has the molecular formula C9H6F2N2O3 and a molecular weight of 228.15 g/mol. Its IUPAC name is 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
PubChem CID130076972
Molecular FormulaC9H6F2N2O3
Molecular Weight228.15 g/mol
Exact Mass228.03
IUPAC Name2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESN#Cc1nc(CC(=O)O)c(C(F)F)cc1O
InChIInChI=1S/C9H6F2N2O3/c10-9(11)4-1-7(14)6(3-12)13-5(4)2-8(15)16/h1,9,14H,2H2,(H,15,16)
InChIKeyBVOFHVCTMJUVNG-UHFFFAOYSA-N
XLogP1.22
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic 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

2-[6-cyano-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077695
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118996006
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370
2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119000555
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
ethyl 2-[5-(aminomethyl)-6-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133106905
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (CID 130076972) is 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is N#Cc1nc(CC(=O)O)c(C(F)F)cc1O.
What is the InChIKey of 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The InChIKey is BVOFHVCTMJUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O3/c10-9(11)4-1-7(14)6(3-12)13-5(4)2-8(15)16/h1,9,14H,2H2,(H,15,16).
What are the key properties of 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid has a molecular weight of 228.15 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 130076972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).