2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid

C9H6F2N2O2 — CID 118998082

IUPAC2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1cc(C(F)F)c(CC(=O)O)cn1
InChIInChI=1S/C9H6F2N2O2/c10-9(11)7-2-6(3-12)13-4-5(7)1-8(14)15/h2,4,9H,1H2,(H,14,15)
InChIKeyYZDBPJLPASCJRH-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.52
Rot. Bonds3

About 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid

2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118998082) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118998082
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1cc(C(F)F)c(CC(=O)O)cn1
InChIInChI=1S/C9H6F2N2O2/c10-9(11)7-2-6(3-12)13-4-5(7)1-8(14)15/h2,4,9H,1H2,(H,14,15)
InChIKeyYZDBPJLPASCJRH-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-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094598
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 118990774
2-[4-bromo-3-cyano-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118805503
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
2-[4-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 118799469
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130076972
2-[2-cyano-5-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 119013916

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid (CID 118998082) is 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid is N#Cc1cc(C(F)F)c(CC(=O)O)cn1.
What is the InChIKey of 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is YZDBPJLPASCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-9(11)7-2-6(3-12)13-4-5(7)1-8(14)15/h2,4,9H,1H2,(H,14,15).
What are the key properties of 2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[6-cyano-4-(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-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118998082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).