N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine

C12H10BrN3O2 — CID 4764031

IUPACN-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
SMILESCc1cc(Br)ccc1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H10BrN3O2/c1-8-6-9(13)2-4-11(8)15-12-5-3-10(7-14-12)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyMJJCPYFYDKAJFU-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.80
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine

N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine (PubChem CID 4764031) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
PubChem CID4764031
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC NameN-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
SMILESCc1cc(Br)ccc1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H10BrN3O2/c1-8-6-9(13)2-4-11(8)15-12-5-3-10(7-14-12)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyMJJCPYFYDKAJFU-UHFFFAOYSA-N
XLogP3.80
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.80
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 N-(4-bromo-2-methylphenyl)-5-nitropyridin-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

N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 32680618
6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
CID 24697637
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-nitropyridin-2-amine
CID 24623423
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
CID 4764041
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
3-N-(4-bromo-2-methylphenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80759918
4-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-methylaniline
CID 80919959
2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
CID 113021518
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 56549281
3-N-(4-bromo-2-methylphenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80748621
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine (CID 4764031) is N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine is Cc1cc(Br)ccc1Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine?
The InChIKey is MJJCPYFYDKAJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-8-6-9(13)2-4-11(8)15-12-5-3-10(7-14-12)16(17)18/h2-7H,1H3,(H,14,15).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine?
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine has a molecular weight of 308.14 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 4764031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).