N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide

C13H10BrClN2O — CID 113267904

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C13H10BrClN2O/c1-8-2-4-9(5-3-8)13(18)17-10-6-11(14)12(15)16-7-10/h2-7H,1H3,(H,17,18)
InChIKeyBZYVCEDAPKJXKV-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide

N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide (PubChem CID 113267904) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
PubChem CID113267904
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C13H10BrClN2O/c1-8-2-4-9(5-3-8)13(18)17-10-6-11(14)12(15)16-7-10/h2-7H,1H3,(H,17,18)
InChIKeyBZYVCEDAPKJXKV-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-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103816486
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide (CID 113267904) is N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnc(Cl)c(Br)c2)cc1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide?
The InChIKey is BZYVCEDAPKJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-2-4-9(5-3-8)13(18)17-10-6-11(14)12(15)16-7-10/h2-7H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide 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 N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 113267904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).