(4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride

C7H7Cl2FN2O2 — CID 134691094

IUPAC(4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClFN2O2.ClH/c8-7-5(9)1-4(3-10)2-6(7)11(12)13;/h1-2H,3,10H2;1H
InChIKeyLFTJFSSYJCRJFX-UHFFFAOYSA-N
MW241.05 g/mol
LogP2.27
Rot. Bonds2

About (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride

(4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride (PubChem CID 134691094) has the molecular formula C7H7Cl2FN2O2 and a molecular weight of 241.05 g/mol. Its IUPAC name is (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride
PubChem CID134691094
Molecular FormulaC7H7Cl2FN2O2
Molecular Weight241.05 g/mol
Exact Mass239.99
IUPAC Name(4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClFN2O2.ClH/c8-7-5(9)1-4(3-10)2-6(7)11(12)13;/h1-2H,3,10H2;1H
InChIKeyLFTJFSSYJCRJFX-UHFFFAOYSA-N
XLogP2.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride (CID 134691094) is (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride is Cl.NCc1cc(F)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride?
The InChIKey is LFTJFSSYJCRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O2.ClH/c8-7-5(9)1-4(3-10)2-6(7)11(12)13;/h1-2H,3,10H2;1H.
What are the key properties of (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride?
(4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride has a molecular weight of 241.05 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluoro-5-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 134691094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).