2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide

C13H10Br2N2O — CID 104870910

IUPAC2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2Br)c1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-2-6-10(11(8)14)17-13(18)9-5-3-7-16-12(9)15/h2-7H,1H3,(H,17,18)
InChIKeyASAKRYWUGIJZKA-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.17
Rot. Bonds2

About 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide

2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 104870910) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
PubChem CID104870910
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2Br)c1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-2-6-10(11(8)14)17-13(18)9-5-3-7-16-12(9)15/h2-7H,1H3,(H,17,18)
InChIKeyASAKRYWUGIJZKA-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide (CID 104870910) is 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cccnc2Br)c1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ASAKRYWUGIJZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c1-8-4-2-6-10(11(8)14)17-13(18)9-5-3-7-16-12(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide?
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 370.04 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 104870910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).