6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid

C12H8F2N2O2 — CID 82556201

IUPAC6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)ccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O2/c13-8-3-1-6(5-9(8)14)7-2-4-10(12(17)18)16-11(7)15/h1-5H,(H2,15,16)(H,17,18)
InChIKeyUWIQZNLZGZQQPY-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.31
Rot. Bonds2

About 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid

6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid (PubChem CID 82556201) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid
PubChem CID82556201
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)ccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O2/c13-8-3-1-6(5-9(8)14)7-2-4-10(12(17)18)16-11(7)15/h1-5H,(H2,15,16)(H,17,18)
InChIKeyUWIQZNLZGZQQPY-UHFFFAOYSA-N
XLogP2.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid (CID 82556201) is 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid is Nc1nc(C(=O)O)ccc1-c1ccc(F)c(F)c1.
What is the InChIKey of 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is UWIQZNLZGZQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-8-3-1-6(5-9(8)14)7-2-4-10(12(17)18)16-11(7)15/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid?
6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 250.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3,4-difluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82556201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).