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

C9H6F2N2O2 — CID 118816063

IUPAC2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1ccnc(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H6F2N2O2/c10-9(11)8-6(3-7(14)15)5(4-12)1-2-13-8/h1-2,9H,3H2,(H,14,15)
InChIKeyVWGQDHKVSHIBEY-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.52
Rot. Bonds3

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

2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118816063) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118816063
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1ccnc(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H6F2N2O2/c10-9(11)8-6(3-7(14)15)5(4-12)1-2-13-8/h1-2,9H,3H2,(H,14,15)
InChIKeyVWGQDHKVSHIBEY-UHFFFAOYSA-N
XLogP1.52
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile
CID 130095973
2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673432
2-[4-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134683944
2-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328
2-[6-cyano-2-(difluoromethyl)-3-ethylphenyl]acetic acid
CID 134615287
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119023577
2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118799601
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130098061
2-(6-cyano-2-fluoro-3-methylphenyl)acetic acid
CID 131168116

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid (CID 118816063) is 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid is N#Cc1ccnc(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is VWGQDHKVSHIBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-9(11)8-6(3-7(14)15)5(4-12)1-2-13-8/h1-2,9H,3H2,(H,14,15).
What are the key properties of 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 212.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118816063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).