[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine

C12H10ClFN2 — CID 71301575

IUPAC[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C12H10ClFN2/c13-10-1-2-11(12(14)4-10)9-3-8(5-15)6-16-7-9/h1-4,6-7H,5,15H2
InChIKeyACKLRECNYYXFJE-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.00
Rot. Bonds2

About [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine

[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine (PubChem CID 71301575) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine
PubChem CID71301575
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C12H10ClFN2/c13-10-1-2-11(12(14)4-10)9-3-8(5-15)6-16-7-9/h1-4,6-7H,5,15H2
InChIKeyACKLRECNYYXFJE-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine 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 [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine (CID 71301575) is [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine is NCc1cncc(-c2ccc(Cl)cc2F)c1.
What is the InChIKey of [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine?
The InChIKey is ACKLRECNYYXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-10-1-2-11(12(14)4-10)9-3-8(5-15)6-16-7-9/h1-4,6-7H,5,15H2.
What are the key properties of [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine?
[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine has a molecular weight of 236.68 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 71301575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).