6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide

C13H9BrCl2N2O — CID 66462872

IUPAC6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Br)nc2)c1Cl
InChIInChI=1S/C13H9BrCl2N2O/c1-7-2-4-9(15)12(11(7)16)18-13(19)8-3-5-10(14)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyQMNOVUCMKILUJH-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.71
Rot. Bonds2

About 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide

6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 66462872) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
PubChem CID66462872
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Br)nc2)c1Cl
InChIInChI=1S/C13H9BrCl2N2O/c1-7-2-4-9(15)12(11(7)16)18-13(19)8-3-5-10(14)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyQMNOVUCMKILUJH-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.71
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-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 43333397
6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 66462941
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
N-(2,6-dichloro-3-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209863
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide (CID 66462872) is 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide is Cc1ccc(Cl)c(NC(=O)c2ccc(Br)nc2)c1Cl.
What is the InChIKey of 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is QMNOVUCMKILUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c1-7-2-4-9(15)12(11(7)16)18-13(19)8-3-5-10(14)17-6-8/h2-6H,1H3,(H,18,19).
What are the key properties of 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide?
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 360.04 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).