2-fluoro-3-methyl-5-nitroaniline

C7H7FN2O2 — CID 130935349

IUPAC2-fluoro-3-methyl-5-nitroaniline
SMILESCc1cc([N+](=O)[O-])cc(N)c1F
InChIInChI=1S/C7H7FN2O2/c1-4-2-5(10(11)12)3-6(9)7(4)8/h2-3H,9H2,1H3
InChIKeyFRFCGYHPNIDHNL-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.62
Rot. Bonds1

About 2-fluoro-3-methyl-5-nitroaniline

2-fluoro-3-methyl-5-nitroaniline (PubChem CID 130935349) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-nitroaniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-nitroaniline
PubChem CID130935349
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name2-fluoro-3-methyl-5-nitroaniline
SMILESCc1cc([N+](=O)[O-])cc(N)c1F
InChIInChI=1S/C7H7FN2O2/c1-4-2-5(10(11)12)3-6(9)7(4)8/h2-3H,9H2,1H3
InChIKeyFRFCGYHPNIDHNL-UHFFFAOYSA-N
XLogP1.62
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.62
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'}

Analyze 2-fluoro-3-methyl-5-nitroaniline 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

1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
2-fluoro-3-methyl-5-nitrobenzenethiol
CID 130926055
(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine
CID 159158940
2-fluoro-5-nitro-3-(trifluoromethyl)aniline
CID 131317889
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
2-amino-6-methyl-4-nitrobenzenesulfonamide
CID 142791442
2-fluoro-6-methyl-4-nitrobenzaldehyde
CID 131125676
2,6-dimethyl-4-nitrophenolate
CID 6993803
2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
CID 103297077
CID 88964811
CID 88964811
2-fluoro-6-methyl-4-nitrobenzamide
CID 130969161

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-nitroaniline?
The IUPAC name of 2-fluoro-3-methyl-5-nitroaniline (CID 130935349) is 2-fluoro-3-methyl-5-nitroaniline.
What is the SMILES notation for 2-fluoro-3-methyl-5-nitroaniline?
The canonical SMILES for 2-fluoro-3-methyl-5-nitroaniline is Cc1cc([N+](=O)[O-])cc(N)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-nitroaniline?
The InChIKey is FRFCGYHPNIDHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-4-2-5(10(11)12)3-6(9)7(4)8/h2-3H,9H2,1H3.
What are the key properties of 2-fluoro-3-methyl-5-nitroaniline?
2-fluoro-3-methyl-5-nitroaniline has a molecular weight of 170.14 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-nitroaniline is sourced from PubChem (CID 130935349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).