2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid

C10H8F2N2O3 — CID 118799601

IUPAC2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
SMILESCOc1cnc(C(F)F)c(CC(=O)O)c1C#N
InChIInChI=1S/C10H8F2N2O3/c1-17-7-4-14-9(10(11)12)5(2-8(15)16)6(7)3-13/h4,10H,2H2,1H3,(H,15,16)
InChIKeyDXAJRXCULPWHAT-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.53
Rot. Bonds4

About 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid

2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid (PubChem CID 118799601) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
PubChem CID118799601
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
SMILESCOc1cnc(C(F)F)c(CC(=O)O)c1C#N
InChIInChI=1S/C10H8F2N2O3/c1-17-7-4-14-9(10(11)12)5(2-8(15)16)6(7)3-13/h4,10H,2H2,1H3,(H,15,16)
InChIKeyDXAJRXCULPWHAT-UHFFFAOYSA-N
XLogP1.53
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-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-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
ethyl 2-[3-cyano-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetate
CID 134686324
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetic acid
CID 133099309
2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
CID 133105324
2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673432
2-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328
2-[4-cyano-2-(difluoromethyl)-6-methoxyphenyl]acetic acid
CID 118838891
ethyl 2-[3-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134685984
[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid (CID 118799601) is 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid is COc1cnc(C(F)F)c(CC(=O)O)c1C#N.
What is the InChIKey of 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
The InChIKey is DXAJRXCULPWHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-17-7-4-14-9(10(11)12)5(2-8(15)16)6(7)3-13/h4,10H,2H2,1H3,(H,15,16).
What are the key properties of 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid has a molecular weight of 242.18 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 118799601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).