3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide

C14H12BrN3O3 — CID 107519316

IUPAC3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C14H12BrN3O3/c1-8-6-9(2)12(18(20)21)7-11(8)17-14(19)13-10(15)4-3-5-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyMYMYNZFGHFDWNL-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.62
Rot. Bonds3

About 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide

3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107519316) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID107519316
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C14H12BrN3O3/c1-8-6-9(2)12(18(20)21)7-11(8)17-14(19)13-10(15)4-3-5-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyMYMYNZFGHFDWNL-UHFFFAOYSA-N
XLogP3.62
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.62
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

3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
CID 107518199
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 115571996
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
N-(2,4-dimethyl-5-nitrophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 2511469
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 104741301
5-chloro-N-(2,4-dimethyl-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 104757678

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide (CID 107519316) is 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is MYMYNZFGHFDWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-8-6-9(2)12(18(20)21)7-11(8)17-14(19)13-10(15)4-3-5-16-13/h3-7H,1-2H3,(H,17,19).
What are the key properties of 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 350.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).