6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide

C15H11FN2O3 — CID 70686266

IUPAC6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide
SMILESCOc1ccc2oc(-c3ccc(C(N)=O)nc3F)cc2c1
InChIInChI=1S/C15H11FN2O3/c1-20-9-2-5-12-8(6-9)7-13(21-12)10-3-4-11(15(17)19)18-14(10)16/h2-7H,1H3,(H2,17,19)
InChIKeyVORLKYPENGMNES-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.74
Rot. Bonds3

About 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide

6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide (PubChem CID 70686266) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide
PubChem CID70686266
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide
SMILESCOc1ccc2oc(-c3ccc(C(N)=O)nc3F)cc2c1
InChIInChI=1S/C15H11FN2O3/c1-20-9-2-5-12-8(6-9)7-13(21-12)10-3-4-11(15(17)19)18-14(10)16/h2-7H,1H3,(H2,17,19)
InChIKeyVORLKYPENGMNES-UHFFFAOYSA-N
XLogP2.74
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide (CID 70686266) is 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide is COc1ccc2oc(-c3ccc(C(N)=O)nc3F)cc2c1.
What is the InChIKey of 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
The InChIKey is VORLKYPENGMNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-20-9-2-5-12-8(6-9)7-13(21-12)10-3-4-11(15(17)19)18-14(10)16/h2-7H,1H3,(H2,17,19).
What are the key properties of 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide?
6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 70686266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).