6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide

C12H6BrCl3N2O — CID 66462095

IUPAC6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Br)nc1
InChIInChI=1S/C12H6BrCl3N2O/c13-10-2-1-6(5-17-10)12(19)18-11-8(15)3-7(14)4-9(11)16/h1-5H,(H,18,19)
InChIKeyQHAHNMVLODUIEN-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.06
Rot. Bonds2

About 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide

6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide (PubChem CID 66462095) has the molecular formula C12H6BrCl3N2O and a molecular weight of 380.46 g/mol. Its IUPAC name is 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
PubChem CID66462095
Molecular FormulaC12H6BrCl3N2O
Molecular Weight380.46 g/mol
Exact Mass377.87
IUPAC Name6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Br)nc1
InChIInChI=1S/C12H6BrCl3N2O/c13-10-2-1-6(5-17-10)12(19)18-11-8(15)3-7(14)4-9(11)16/h1-5H,(H,18,19)
InChIKeyQHAHNMVLODUIEN-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.06
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

6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(4-bromo-2,6-dichlorophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62244012
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 66462941
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide (CID 66462095) is 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide?
The InChIKey is QHAHNMVLODUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl3N2O/c13-10-2-1-6(5-17-10)12(19)18-11-8(15)3-7(14)4-9(11)16/h1-5H,(H,18,19).
What are the key properties of 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide?
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).