5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine

C11H13ClFN3 — CID 114694684

IUPAC5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NCC1=CCNCC1
InChIInChI=1S/C11H13ClFN3/c12-9-5-10(13)11(16-7-9)15-6-8-1-3-14-4-2-8/h1,5,7,14H,2-4,6H2,(H,15,16)
InChIKeyZXRNNQAZTCAMPV-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.21
Rot. Bonds3

About 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine

5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 114694684) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine
PubChem CID114694684
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC Name5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NCC1=CCNCC1
InChIInChI=1S/C11H13ClFN3/c12-9-5-10(13)11(16-7-9)15-6-8-1-3-14-4-2-8/h1,5,7,14H,2-4,6H2,(H,15,16)
InChIKeyZXRNNQAZTCAMPV-UHFFFAOYSA-N
XLogP2.21
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine 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-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine (CID 114694684) is 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine is Fc1cc(Cl)cnc1NCC1=CCNCC1.
What is the InChIKey of 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is ZXRNNQAZTCAMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3/c12-9-5-10(13)11(16-7-9)15-6-8-1-3-14-4-2-8/h1,5,7,14H,2-4,6H2,(H,15,16).
What are the key properties of 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 241.70 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114694684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).