2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine

C11H14FN — CID 177051132

IUPAC2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine
SMILESCC(C)c1cc(C2CC2)ncc1F
InChIInChI=1S/C11H14FN/c1-7(2)9-5-11(8-3-4-8)13-6-10(9)12/h5-8H,3-4H2,1-2H3
InChIKeyQMRSJDSUPHADKK-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.22
Rot. Bonds2

About 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine

2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine (PubChem CID 177051132) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine
PubChem CID177051132
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine
SMILESCC(C)c1cc(C2CC2)ncc1F
InChIInChI=1S/C11H14FN/c1-7(2)9-5-11(8-3-4-8)13-6-10(9)12/h5-8H,3-4H2,1-2H3
InChIKeyQMRSJDSUPHADKK-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine?
The IUPAC name of 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine (CID 177051132) is 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine.
What is the SMILES notation for 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine?
The canonical SMILES for 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine is CC(C)c1cc(C2CC2)ncc1F.
What is the InChIKey of 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine?
The InChIKey is QMRSJDSUPHADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7(2)9-5-11(8-3-4-8)13-6-10(9)12/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine?
2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine has a molecular weight of 179.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine is sourced from PubChem (CID 177051132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).