2-(1-fluorobutyl)pyridine

C9H12FN — CID 66584665

IUPAC2-(1-fluorobutyl)pyridine
SMILESCCCC(F)c1ccccn1
InChIInChI=1S/C9H12FN/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3
InChIKeyPXENVSNXFRIAPO-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.89
Rot. Bonds3

About 2-(1-fluorobutyl)pyridine

2-(1-fluorobutyl)pyridine (PubChem CID 66584665) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-(1-fluorobutyl)pyridine.

Molecular Properties

Compound Name2-(1-fluorobutyl)pyridine
PubChem CID66584665
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name2-(1-fluorobutyl)pyridine
SMILESCCCC(F)c1ccccn1
InChIInChI=1S/C9H12FN/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3
InChIKeyPXENVSNXFRIAPO-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
2-decan-4-ylpyridine
CID 67882797
2-tridecan-6-ylpyridine
CID 139295924
ethane;2-pentan-3-ylpyridine
CID 142883968
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
4-pyridin-2-ylheptanal
CID 88746457
2-(2-ethyl-1-methoxypentyl)pyridine
CID 144608669
(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
CID 95241708
3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088
4-methyl-2-pyridin-2-ylheptan-1-amine
CID 54593230
(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
CID 103878434
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)pyridine?
The IUPAC name of 2-(1-fluorobutyl)pyridine (CID 66584665) is 2-(1-fluorobutyl)pyridine.
What is the SMILES notation for 2-(1-fluorobutyl)pyridine?
The canonical SMILES for 2-(1-fluorobutyl)pyridine is CCCC(F)c1ccccn1.
What is the InChIKey of 2-(1-fluorobutyl)pyridine?
The InChIKey is PXENVSNXFRIAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-(1-fluorobutyl)pyridine?
2-(1-fluorobutyl)pyridine has a molecular weight of 153.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)pyridine is sourced from PubChem (CID 66584665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).