2-methyl-6-nitroaniline

C7H8N2O2 — CID 11298

IUPAC2-methyl-6-nitroaniline
SMILESCc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
InChIKeyFCMRHMPITHLLLA-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.49
Rot. Bonds1

About 2-methyl-6-nitroaniline

2-methyl-6-nitroaniline (PubChem CID 11298) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-methyl-6-nitroaniline.

Molecular Properties

Compound Name2-methyl-6-nitroaniline
PubChem CID11298
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-methyl-6-nitroaniline
SMILESCc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
InChIKeyFCMRHMPITHLLLA-UHFFFAOYSA-N
XLogP1.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

CID 6944
CID 6944
CID 7422
CID 7422
CID 17593
CID 17593
CID 7444
CID 7444
CID 6946
CID 6946
CID 11761
CID 11761
CID 11883
CID 11883
CID 8390
CID 8390
CID 94955
CID 94955
CID 12075
CID 12075
CID 6974
CID 6974
CID 6978
CID 6978

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitroaniline?
The IUPAC name of 2-methyl-6-nitroaniline (CID 11298) is 2-methyl-6-nitroaniline.
What is the SMILES notation for 2-methyl-6-nitroaniline?
The canonical SMILES for 2-methyl-6-nitroaniline is Cc1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-methyl-6-nitroaniline?
The InChIKey is FCMRHMPITHLLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3.
What are the key properties of 2-methyl-6-nitroaniline?
2-methyl-6-nitroaniline has a molecular weight of 152.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitroaniline is sourced from PubChem (CID 11298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).