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

C12H8F2N2O2 — CID 133086684

IUPAC6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1-c1cccc(F)c1F
InChIInChI=1S/C12H8F2N2O2/c13-9-3-1-2-7(10(9)14)8-4-6(12(17)18)5-16-11(8)15/h1-5H,(H2,15,16)(H,17,18)
InChIKeyPSIGHLQKQBBJCD-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.31
Rot. Bonds2

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

6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid (PubChem CID 133086684) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
PubChem CID133086684
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1-c1cccc(F)c1F
InChIInChI=1S/C12H8F2N2O2/c13-9-3-1-2-7(10(9)14)8-4-6(12(17)18)5-16-11(8)15/h1-5H,(H2,15,16)(H,17,18)
InChIKeyPSIGHLQKQBBJCD-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-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid (CID 133086684) is 6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid is Nc1ncc(C(=O)O)cc1-c1cccc(F)c1F.
What is the InChIKey of 6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is PSIGHLQKQBBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-9-3-1-2-7(10(9)14)8-4-6(12(17)18)5-16-11(8)15/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
6-amino-5-(2,3-difluorophenyl)pyridine-3-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-(2,3-difluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 133086684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).