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

C15H12ClFN2O2 — CID 92757195

IUPAC6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1Cc2cc(F)ccc2O1)c1ccc(Cl)nc1
InChIInChI=1S/C15H12ClFN2O2/c16-14-4-1-9(7-18-14)15(20)19-8-12-6-10-5-11(17)2-3-13(10)21-12/h1-5,7,12H,6,8H2,(H,19,20)/t12-/m0/s1
InChIKeyYWGSOGRURNVAQB-LBPRGKRZSA-N
MW306.72 g/mol
LogP2.61
Rot. Bonds3

About 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide

6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 92757195) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
PubChem CID92757195
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1Cc2cc(F)ccc2O1)c1ccc(Cl)nc1
InChIInChI=1S/C15H12ClFN2O2/c16-14-4-1-9(7-18-14)15(20)19-8-12-6-10-5-11(17)2-3-13(10)21-12/h1-5,7,12H,6,8H2,(H,19,20)/t12-/m0/s1
InChIKeyYWGSOGRURNVAQB-LBPRGKRZSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.61
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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Related Compounds

4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757640
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46090164
methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46089367
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
N-[[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-6-chloropyridine-3-carboxamide
CID 155087743
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
CID 37298499
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide (CID 92757195) is 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@H]1Cc2cc(F)ccc2O1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is YWGSOGRURNVAQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-14-4-1-9(7-18-14)15(20)19-8-12-6-10-5-11(17)2-3-13(10)21-12/h1-5,7,12H,6,8H2,(H,19,20)/t12-/m0/s1.
What are the key properties of 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 306.72 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 92757195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).