2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide

C14H12BrClN2O3 — CID 103754076

IUPAC2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cccnc2Br)cc1OC
InChIInChI=1S/C14H12BrClN2O3/c1-20-11-6-9(16)10(7-12(11)21-2)18-14(19)8-4-3-5-17-13(8)15/h3-7H,1-2H3,(H,18,19)
InChIKeyZPTXLJGMTOHIJD-UHFFFAOYSA-N
MW371.62 g/mol
LogP3.77
Rot. Bonds4

About 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide

2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 103754076) has the molecular formula C14H12BrClN2O3 and a molecular weight of 371.62 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID103754076
Molecular FormulaC14H12BrClN2O3
Molecular Weight371.62 g/mol
Exact Mass369.97
IUPAC Name2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cccnc2Br)cc1OC
InChIInChI=1S/C14H12BrClN2O3/c1-20-11-6-9(16)10(7-12(11)21-2)18-14(19)8-4-3-5-17-13(8)15/h3-7H,1-2H3,(H,18,19)
InChIKeyZPTXLJGMTOHIJD-UHFFFAOYSA-N
XLogP3.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62954749
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
CID 30804369
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 55330294
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 103754076) is 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1cc(Cl)c(NC(=O)c2cccnc2Br)cc1OC.
What is the InChIKey of 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is ZPTXLJGMTOHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3/c1-20-11-6-9(16)10(7-12(11)21-2)18-14(19)8-4-3-5-17-13(8)15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide?
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 371.62 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103754076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).