6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide

C14H11BrN2O2 — CID 113343314

IUPAC6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1COc2ccccc21)c1cccc(Br)n1
InChIInChI=1S/C14H11BrN2O2/c15-13-7-3-5-10(16-13)14(18)17-11-8-19-12-6-2-1-4-9(11)12/h1-7,11H,8H2,(H,17,18)
InChIKeyYLWPCLUVXGAYOP-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.71
Rot. Bonds2

About 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide

6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide (PubChem CID 113343314) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
PubChem CID113343314
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1COc2ccccc21)c1cccc(Br)n1
InChIInChI=1S/C14H11BrN2O2/c15-13-7-3-5-10(16-13)14(18)17-11-8-19-12-6-2-1-4-9(11)12/h1-7,11H,8H2,(H,17,18)
InChIKeyYLWPCLUVXGAYOP-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.71
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

2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide
CID 171677196
6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103916993
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 63933528

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide (CID 113343314) is 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide is O=C(NC1COc2ccccc21)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide?
The InChIKey is YLWPCLUVXGAYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-13-7-3-5-10(16-13)14(18)17-11-8-19-12-6-2-1-4-9(11)12/h1-7,11H,8H2,(H,17,18).
What are the key properties of 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide?
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113343314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).