2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide

C14H11FN2O2 — CID 140712174

IUPAC2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1[C@H]1COc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O2/c15-8-3-4-12-10(6-8)11(7-19-12)13-9(14(16)18)2-1-5-17-13/h1-6,11H,7H2,(H2,16,18)/t11-/m0/s1
InChIKeyFHPBZDPDXBILFI-NSHDSACASA-N
MW258.25 g/mol
LogP1.84
Rot. Bonds2

About 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide

2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide (PubChem CID 140712174) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide
PubChem CID140712174
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1[C@H]1COc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O2/c15-8-3-4-12-10(6-8)11(7-19-12)13-9(14(16)18)2-1-5-17-13/h1-6,11H,7H2,(H2,16,18)/t11-/m0/s1
InChIKeyFHPBZDPDXBILFI-NSHDSACASA-N
XLogP1.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide (CID 140712174) is 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1[C@H]1COc2ccc(F)cc21.
What is the InChIKey of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide?
The InChIKey is FHPBZDPDXBILFI-NSHDSACASA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-8-3-4-12-10(6-8)11(7-19-12)13-9(14(16)18)2-1-5-17-13/h1-6,11H,7H2,(H2,16,18)/t11-/m0/s1.
What are the key properties of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide?
2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide has a molecular weight of 258.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 140712174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).