2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide

C13H10BrClN2O — CID 107301024

IUPAC2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C13H10BrClN2O/c1-8-11(6-7-12(15)16-8)17-13(18)9-4-2-3-5-10(9)14/h2-7H,1H3,(H,17,18)
InChIKeyDJMFFYJMHOWROP-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

About 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide

2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide (PubChem CID 107301024) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
PubChem CID107301024
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C13H10BrClN2O/c1-8-11(6-7-12(15)16-8)17-13(18)9-4-2-3-5-10(9)14/h2-7H,1H3,(H,17,18)
InChIKeyDJMFFYJMHOWROP-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.06
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

N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
N-(6-chloro-2-methyl-3-pyridinyl)-2-fluoro-4-hydroxybenzamide
CID 107301250
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide (CID 107301024) is 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide is Cc1nc(Cl)ccc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
The InChIKey is DJMFFYJMHOWROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-11(6-7-12(15)16-8)17-13(18)9-4-2-3-5-10(9)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide has a molecular weight of 325.59 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 107301024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).