6-(3,4-difluoroanilino)pyridine-2-carboxylic acid

C12H8F2N2O2 — CID 55053604

IUPAC6-(3,4-difluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H8F2N2O2/c13-8-5-4-7(6-9(8)14)15-11-3-1-2-10(16-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyLRHZODAEWNOTPM-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.80
Rot. Bonds3

About 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid

6-(3,4-difluoroanilino)pyridine-2-carboxylic acid (PubChem CID 55053604) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)pyridine-2-carboxylic acid
PubChem CID55053604
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name6-(3,4-difluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H8F2N2O2/c13-8-5-4-7(6-9(8)14)15-11-3-1-2-10(16-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyLRHZODAEWNOTPM-UHFFFAOYSA-N
XLogP2.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid (CID 55053604) is 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid is O=C(O)c1cccc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is LRHZODAEWNOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-8-5-4-7(6-9(8)14)15-11-3-1-2-10(16-11)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid?
6-(3,4-difluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 250.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 55053604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).