6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide

C14H11BrN2O2 — CID 113346686

IUPAC6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cccc(Br)n1
InChIInChI=1S/C14H11BrN2O2/c15-13-3-1-2-11(17-13)14(18)16-10-4-5-12-9(8-10)6-7-19-12/h1-5,8H,6-7H2,(H,16,18)
InChIKeyCYBCSIUFWBEFPP-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.03
Rot. Bonds2

About 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide

6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide (PubChem CID 113346686) 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-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide
PubChem CID113346686
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cccc(Br)n1
InChIInChI=1S/C14H11BrN2O2/c15-13-3-1-2-11(17-13)14(18)16-10-4-5-12-9(8-10)6-7-19-12/h1-5,8H,6-7H2,(H,16,18)
InChIKeyCYBCSIUFWBEFPP-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

N-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide
CID 115497334
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
N-(2,3-dihydro-1-benzofuran-5-yl)naphthalene-1-carboxamide
CID 38558744
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377
6-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103875218
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylbenzamide
CID 104852259
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide (CID 113346686) is 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)CCO2)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide?
The InChIKey is CYBCSIUFWBEFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-13-3-1-2-11(17-13)14(18)16-10-4-5-12-9(8-10)6-7-19-12/h1-5,8H,6-7H2,(H,16,18).
What are the key properties of 6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide?
6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 3.03, 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-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113346686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).