3-methyl-6-nitrobenzene-1,2-diamine

C7H9N3O2 — CID 54544550

IUPAC3-methyl-6-nitrobenzene-1,2-diamine
SMILESCc1ccc([N+](=O)[O-])c(N)c1N
InChIInChI=1S/C7H9N3O2/c1-4-2-3-5(10(11)12)7(9)6(4)8/h2-3H,8-9H2,1H3
InChIKeyZFPNKDKUOOTQOL-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.07
Rot. Bonds1

About 3-methyl-6-nitrobenzene-1,2-diamine

3-methyl-6-nitrobenzene-1,2-diamine (PubChem CID 54544550) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-methyl-6-nitrobenzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-6-nitrobenzene-1,2-diamine
PubChem CID54544550
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-methyl-6-nitrobenzene-1,2-diamine
SMILESCc1ccc([N+](=O)[O-])c(N)c1N
InChIInChI=1S/C7H9N3O2/c1-4-2-3-5(10(11)12)7(9)6(4)8/h2-3H,8-9H2,1H3
InChIKeyZFPNKDKUOOTQOL-UHFFFAOYSA-N
XLogP1.07
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

1-(2-amino-3-methyl-6-nitrophenyl)-2-chloroethanone
CID 171024047
3-bromo-6-methyl-2-nitroaniline
CID 84726344
4-methyl-3-nitrobenzene-1,2-diamine
CID 3639343
3-nitro-6-(2,3,4,5,6-pentanitrophenyl)benzene-1,2-diamine
CID 57376603
3-methyl-6-nitro-2-(thiomorpholin-4-ylmethyl)aniline
CID 10563767
6-methyl-2,3-dinitrophenol
CID 14768193
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
6-methyl-3-methylsulfonyl-2-nitroaniline
CID 117059426
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
2-amino-3-methyl-4-nitrophenol
CID 86240740
N-(3-amino-2,4-dinitrophenyl)-N-[2-(3-amino-N,2,4-trinitroanilino)ethyl]nitramide
CID 160763059
1-(2,6-diamino-3-nitrophenyl)ethanone
CID 163623643

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nitrobenzene-1,2-diamine?
The IUPAC name of 3-methyl-6-nitrobenzene-1,2-diamine (CID 54544550) is 3-methyl-6-nitrobenzene-1,2-diamine.
What is the SMILES notation for 3-methyl-6-nitrobenzene-1,2-diamine?
The canonical SMILES for 3-methyl-6-nitrobenzene-1,2-diamine is Cc1ccc([N+](=O)[O-])c(N)c1N.
What is the InChIKey of 3-methyl-6-nitrobenzene-1,2-diamine?
The InChIKey is ZFPNKDKUOOTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-2-3-5(10(11)12)7(9)6(4)8/h2-3H,8-9H2,1H3.
What are the key properties of 3-methyl-6-nitrobenzene-1,2-diamine?
3-methyl-6-nitrobenzene-1,2-diamine has a molecular weight of 167.17 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-nitrobenzene-1,2-diamine is sourced from PubChem (CID 54544550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).