N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide

C13H10BrClN2O2 — CID 103816421

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C13H10BrClN2O2/c1-19-10-4-2-3-8(5-10)13(18)17-9-6-11(14)12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyCXDCPXBGVBDTQJ-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.76
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide

N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide (PubChem CID 103816421) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
PubChem CID103816421
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C13H10BrClN2O2/c1-19-10-4-2-3-8(5-10)13(18)17-9-6-11(14)12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyCXDCPXBGVBDTQJ-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-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
CID 91674531
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide (CID 103816421) is N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide?
The InChIKey is CXDCPXBGVBDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-19-10-4-2-3-8(5-10)13(18)17-9-6-11(14)12(15)16-7-9/h2-7H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide 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-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide is sourced from PubChem (CID 103816421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).