(2-chloro-4-fluoro-6-nitrophenyl)methanamine

C7H6ClFN2O2 — CID 171016253

IUPAC(2-chloro-4-fluoro-6-nitrophenyl)methanamine
SMILESNCc1c(Cl)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6ClFN2O2/c8-6-1-4(9)2-7(11(12)13)5(6)3-10/h1-2H,3,10H2
InChIKeyAMLFFBFUPJSWLL-UHFFFAOYSA-N
MW204.59 g/mol
LogP1.85
Rot. Bonds2

About (2-chloro-4-fluoro-6-nitrophenyl)methanamine

(2-chloro-4-fluoro-6-nitrophenyl)methanamine (PubChem CID 171016253) has the molecular formula C7H6ClFN2O2 and a molecular weight of 204.59 g/mol. Its IUPAC name is (2-chloro-4-fluoro-6-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluoro-6-nitrophenyl)methanamine
PubChem CID171016253
Molecular FormulaC7H6ClFN2O2
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name(2-chloro-4-fluoro-6-nitrophenyl)methanamine
SMILESNCc1c(Cl)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6ClFN2O2/c8-6-1-4(9)2-7(11(12)13)5(6)3-10/h1-2H,3,10H2
InChIKeyAMLFFBFUPJSWLL-UHFFFAOYSA-N
XLogP1.85
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 51.85
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'}

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Related Compounds

2-(4-fluoro-2,6-dinitrophenyl)acetonitrile
CID 53399258
2-[2-(bromomethyl)-5-fluoro-3-nitrophenyl]acetic acid
CID 171011427
2-(4-fluoro-2-formyl-6-nitrophenyl)acetic acid
CID 171015626
(2,4-dichloro-6-nitrophenyl)methyl hydrogen carbonate
CID 54049022
2-(2,4-difluoro-6-nitrophenyl)acetonitrile
CID 119024673
4-(aminomethyl)-2-chloro-5-nitrobenzonitrile
CID 171015854
2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide
CID 91316298
[5-chloro-2-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 114857139
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858
2-chloro-5-fluoro-3-nitropyridine
CID 10773626

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-6-nitrophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluoro-6-nitrophenyl)methanamine (CID 171016253) is (2-chloro-4-fluoro-6-nitrophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluoro-6-nitrophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluoro-6-nitrophenyl)methanamine is NCc1c(Cl)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of (2-chloro-4-fluoro-6-nitrophenyl)methanamine?
The InChIKey is AMLFFBFUPJSWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O2/c8-6-1-4(9)2-7(11(12)13)5(6)3-10/h1-2H,3,10H2.
What are the key properties of (2-chloro-4-fluoro-6-nitrophenyl)methanamine?
(2-chloro-4-fluoro-6-nitrophenyl)methanamine has a molecular weight of 204.59 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-6-nitrophenyl)methanamine is sourced from PubChem (CID 171016253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).