5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine

C13H12BrN3O2 — CID 103934170

IUPAC5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
SMILESCc1nc(NCc2ccc([N+](=O)[O-])cc2)ccc1Br
InChIInChI=1S/C13H12BrN3O2/c1-9-12(14)6-7-13(16-9)15-8-10-2-4-11(5-3-10)17(18)19/h2-7H,8H2,1H3,(H,15,16)
InChIKeyZNVAANYRKHRZGH-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.67
Rot. Bonds4

About 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine

5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 103934170) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
PubChem CID103934170
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
SMILESCc1nc(NCc2ccc([N+](=O)[O-])cc2)ccc1Br
InChIInChI=1S/C13H12BrN3O2/c1-9-12(14)6-7-13(16-9)15-8-10-2-4-11(5-3-10)17(18)19/h2-7H,8H2,1H3,(H,15,16)
InChIKeyZNVAANYRKHRZGH-UHFFFAOYSA-N
XLogP3.67
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.67
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'}

Analyze 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 58338424
6-bromo-2-methyl-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 104599960
N-[(4-aminophenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 116650504
5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine
CID 115148250
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115148277
2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
CID 114769705
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
3-methyl-N-[(4-nitrophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 75498185
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 79041372
6-methyl-2-[(4-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 62710975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine (CID 103934170) is 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine is Cc1nc(NCc2ccc([N+](=O)[O-])cc2)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is ZNVAANYRKHRZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-9-12(14)6-7-13(16-9)15-8-10-2-4-11(5-3-10)17(18)19/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 322.16 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103934170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).