N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide

C13H9BrClN3O3 — CID 107143575

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C13H9BrClN3O3/c1-7-3-2-4-10(18(20)21)11(7)13(19)17-8-5-9(14)12(15)16-6-8/h2-6H,1H3,(H,17,19)
InChIKeyNRSYFUNLIGQYOY-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.97
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide

N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide (PubChem CID 107143575) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
PubChem CID107143575
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C13H9BrClN3O3/c1-7-3-2-4-10(18(20)21)11(7)13(19)17-8-5-9(14)12(15)16-6-8/h2-6H,1H3,(H,17,19)
InChIKeyNRSYFUNLIGQYOY-UHFFFAOYSA-N
XLogP3.97
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
CID 103730390
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(5-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 43806323
N-(4-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 28880206
N-(5-bromo-6-chloro-3-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 104624620
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
CID 122150956
N-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
CID 150262373
N-(3-hydroxy-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 64793808

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide (CID 107143575) is N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide is Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide?
The InChIKey is NRSYFUNLIGQYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c1-7-3-2-4-10(18(20)21)11(7)13(19)17-8-5-9(14)12(15)16-6-8/h2-6H,1H3,(H,17,19).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide has a molecular weight of 370.59 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide is sourced from PubChem (CID 107143575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).