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

C7H9N3O2 — CID 3639343

IUPAC4-methyl-3-nitrobenzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O2/c1-4-2-3-5(8)6(9)7(4)10(11)12/h2-3H,8-9H2,1H3
InChIKeyUOFSMFMNGAKHJO-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.07
Rot. Bonds1

About 4-methyl-3-nitrobenzene-1,2-diamine

4-methyl-3-nitrobenzene-1,2-diamine (PubChem CID 3639343) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-methyl-3-nitrobenzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-3-nitrobenzene-1,2-diamine
PubChem CID3639343
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-methyl-3-nitrobenzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O2/c1-4-2-3-5(8)6(9)7(4)10(11)12/h2-3H,8-9H2,1H3
InChIKeyUOFSMFMNGAKHJO-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

1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
3-bromo-6-methyl-2-nitroaniline
CID 84726344
3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene
CID 160582326
6-methyl-3-methylsulfonyl-2-nitroaniline
CID 117059426
4-[4-(dimethylamino)phenyl]-3-nitrobenzene-1,2-diamine
CID 141048025
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
2,4,5-trimethyl-3-nitroaniline
CID 826113
4-bromo-2-nitrobenzene-1,3-diamine
CID 75365891
2,4-dimethyl-3-nitrobenzenesulfonamide
CID 118990328
2-methyl-5-nitroaniline sulfate
CID 20841862
2-nitro-3-(2,3,6-trimethylphenoxy)aniline
CID 80875148

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitrobenzene-1,2-diamine?
The IUPAC name of 4-methyl-3-nitrobenzene-1,2-diamine (CID 3639343) is 4-methyl-3-nitrobenzene-1,2-diamine.
What is the SMILES notation for 4-methyl-3-nitrobenzene-1,2-diamine?
The canonical SMILES for 4-methyl-3-nitrobenzene-1,2-diamine is Cc1ccc(N)c(N)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitrobenzene-1,2-diamine?
The InChIKey is UOFSMFMNGAKHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-2-3-5(8)6(9)7(4)10(11)12/h2-3H,8-9H2,1H3.
What are the key properties of 4-methyl-3-nitrobenzene-1,2-diamine?
4-methyl-3-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 4-methyl-3-nitrobenzene-1,2-diamine is sourced from PubChem (CID 3639343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).