2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine

C11H16ClFN2 — CID 79733649

IUPAC2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2/c1-4-10(14-3)7(2)11-9(13)5-8(12)6-15-11/h5-7,10,14H,4H2,1-3H3
InChIKeyKJIIQOGMDVGVEW-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.98
Rot. Bonds4

About 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine

2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine (PubChem CID 79733649) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine
PubChem CID79733649
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2/c1-4-10(14-3)7(2)11-9(13)5-8(12)6-15-11/h5-7,10,14H,4H2,1-3H3
InChIKeyKJIIQOGMDVGVEW-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-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 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine?
The IUPAC name of 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine (CID 79733649) is 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine is CCC(NC)C(C)c1ncc(Cl)cc1F.
What is the InChIKey of 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine?
The InChIKey is KJIIQOGMDVGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-4-10(14-3)7(2)11-9(13)5-8(12)6-15-11/h5-7,10,14H,4H2,1-3H3.
What are the key properties of 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine?
2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine has a molecular weight of 230.71 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine is sourced from PubChem (CID 79733649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).