2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide

C12H7BrCl2N2O — CID 113255485

IUPAC2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cccnc1Br
InChIInChI=1S/C12H7BrCl2N2O/c13-11-8(2-1-5-16-11)12(18)17-10-4-3-7(14)6-9(10)15/h1-6H,(H,17,18)
InChIKeyKKYXSGRFELZIJF-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide

2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 113255485) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
PubChem CID113255485
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC Name2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cccnc1Br
InChIInChI=1S/C12H7BrCl2N2O/c13-11-8(2-1-5-16-11)12(18)17-10-4-3-7(14)6-9(10)15/h1-6H,(H,17,18)
InChIKeyKKYXSGRFELZIJF-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.01
LogP ≤ 54.40
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

2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 6483556
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide (CID 113255485) is 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is KKYXSGRFELZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-11-8(2-1-5-16-11)12(18)17-10-4-3-7(14)6-9(10)15/h1-6H,(H,17,18).
What are the key properties of 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 346.01 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 113255485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).