N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide

C13H10BrClN2O2 — CID 62416612

IUPACN-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H10BrClN2O2/c1-19-9-3-4-10(14)11(6-9)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3,(H,17,18)
InChIKeyYPPKKJAKHDMPRF-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.76
Rot. Bonds3

About N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide

N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide (PubChem CID 62416612) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
PubChem CID62416612
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC NameN-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H10BrClN2O2/c1-19-9-3-4-10(14)11(6-9)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3,(H,17,18)
InChIKeyYPPKKJAKHDMPRF-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.76
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-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
CID 62416422
N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103956833
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide (CID 62416612) is N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide is COc1ccc(Br)c(NC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide?
The InChIKey is YPPKKJAKHDMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-19-9-3-4-10(14)11(6-9)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide?
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide has a molecular weight of 341.59 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 62416612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).