2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide

C13H10Br2N2O — CID 113255532

IUPAC2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Br)cc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-5-9(7-11(8)14)17-13(18)10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyQTRZGDYFODNJND-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.17
Rot. Bonds2

About 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide

2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 113255532) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
PubChem CID113255532
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Br)cc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-5-9(7-11(8)14)17-13(18)10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyQTRZGDYFODNJND-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

N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
CID 103753980
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide (CID 113255532) is 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2Br)cc1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is QTRZGDYFODNJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c1-8-4-5-9(7-11(8)14)17-13(18)10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide?
2-bromo-N-(3-bromo-4-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-(3-bromo-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 113255532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).