6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide

C13H10F2N2O2 — CID 42644790

IUPAC6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(F)n2)ccc1F
InChIInChI=1S/C13H10F2N2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)
InChIKeyBUOIEXGQMZYJLG-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.62
Rot. Bonds3

About 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide

6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 42644790) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide
PubChem CID42644790
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(F)n2)ccc1F
InChIInChI=1S/C13H10F2N2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)
InChIKeyBUOIEXGQMZYJLG-UHFFFAOYSA-N
XLogP2.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide (CID 42644790) is 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cccc(F)n2)ccc1F.
What is the InChIKey of 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is BUOIEXGQMZYJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18).
What are the key properties of 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide?
6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 264.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 42644790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).