4-fluoro-2-pentan-2-ylpyridine

C10H14FN — CID 134243640

IUPAC4-fluoro-2-pentan-2-ylpyridine
SMILESCCCC(C)c1cc(F)ccn1
InChIInChI=1S/C10H14FN/c1-3-4-8(2)10-7-9(11)5-6-12-10/h5-8H,3-4H2,1-2H3
InChIKeyPHORLGWTPXDGTM-UHFFFAOYSA-N
MW167.23 g/mol
LogP3.12
Rot. Bonds3

About 4-fluoro-2-pentan-2-ylpyridine

4-fluoro-2-pentan-2-ylpyridine (PubChem CID 134243640) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-2-pentan-2-ylpyridine.

Molecular Properties

Compound Name4-fluoro-2-pentan-2-ylpyridine
PubChem CID134243640
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-2-pentan-2-ylpyridine
SMILESCCCC(C)c1cc(F)ccn1
InChIInChI=1S/C10H14FN/c1-3-4-8(2)10-7-9(11)5-6-12-10/h5-8H,3-4H2,1-2H3
InChIKeyPHORLGWTPXDGTM-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-2-pentan-2-ylpyridine 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 4-fluoro-2-pentan-2-ylpyridine?
The IUPAC name of 4-fluoro-2-pentan-2-ylpyridine (CID 134243640) is 4-fluoro-2-pentan-2-ylpyridine.
What is the SMILES notation for 4-fluoro-2-pentan-2-ylpyridine?
The canonical SMILES for 4-fluoro-2-pentan-2-ylpyridine is CCCC(C)c1cc(F)ccn1.
What is the InChIKey of 4-fluoro-2-pentan-2-ylpyridine?
The InChIKey is PHORLGWTPXDGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-4-8(2)10-7-9(11)5-6-12-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-2-pentan-2-ylpyridine?
4-fluoro-2-pentan-2-ylpyridine has a molecular weight of 167.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pentan-2-ylpyridine is sourced from PubChem (CID 134243640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).