(5-chloro-3-fluoro-2-pyridinyl)methanamine

C6H6ClFN2 — CID 53395623

IUPAC(5-chloro-3-fluoro-2-pyridinyl)methanamine
SMILESNCc1ncc(Cl)cc1F
InChIInChI=1S/C6H6ClFN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H,2,9H2
InChIKeyVJWGDXIMZSUCJE-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.33
Rot. Bonds1

About (5-chloro-3-fluoro-2-pyridinyl)methanamine

(5-chloro-3-fluoro-2-pyridinyl)methanamine (PubChem CID 53395623) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is (5-chloro-3-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-fluoro-2-pyridinyl)methanamine
PubChem CID53395623
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name(5-chloro-3-fluoro-2-pyridinyl)methanamine
SMILESNCc1ncc(Cl)cc1F
InChIInChI=1S/C6H6ClFN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H,2,9H2
InChIKeyVJWGDXIMZSUCJE-UHFFFAOYSA-N
XLogP1.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-3-fluoro-2-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-chloro-3-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (5-chloro-3-fluoro-2-pyridinyl)methanamine (CID 53395623) is (5-chloro-3-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (5-chloro-3-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (5-chloro-3-fluoro-2-pyridinyl)methanamine is NCc1ncc(Cl)cc1F.
What is the InChIKey of (5-chloro-3-fluoro-2-pyridinyl)methanamine?
The InChIKey is VJWGDXIMZSUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H,2,9H2.
What are the key properties of (5-chloro-3-fluoro-2-pyridinyl)methanamine?
(5-chloro-3-fluoro-2-pyridinyl)methanamine has a molecular weight of 160.58 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 53395623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).