N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide

C13H9BrClN3O3 — CID 79735970

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ncc1Br
InChIInChI=1S/C13H9BrClN3O3/c1-7-4-12(16-6-10(7)14)17-13(19)9-3-2-8(18(20)21)5-11(9)15/h2-6H,1H3,(H,16,17,19)
InChIKeyPBWAUYJIRSBOCU-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.97
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide (PubChem CID 79735970) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
PubChem CID79735970
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ncc1Br
InChIInChI=1S/C13H9BrClN3O3/c1-7-4-12(16-6-10(7)14)17-13(19)9-3-2-8(18(20)21)5-11(9)15/h2-6H,1H3,(H,16,17,19)
InChIKeyPBWAUYJIRSBOCU-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 79736442
2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 4234801
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 115693167
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115681603
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
2-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47935004
2-chloro-N-[2-(dimethylamino)pyrimidin-5-yl]-4-nitrobenzamide
CID 122298152
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide (CID 79735970) is N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide is Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide?
The InChIKey is PBWAUYJIRSBOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c1-7-4-12(16-6-10(7)14)17-13(19)9-3-2-8(18(20)21)5-11(9)15/h2-6H,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-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-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide is sourced from PubChem (CID 79735970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).