3-(1-fluoroheptan-2-yl)pyridine

C12H18FN — CID 150907283

IUPAC3-(1-fluoroheptan-2-yl)pyridine
SMILESCCCCCC(CF)c1cccnc1
InChIInChI=1S/C12H18FN/c1-2-3-4-6-11(9-13)12-7-5-8-14-10-12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyLBGAQWCIARZDRB-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.71
Rot. Bonds6

About 3-(1-fluoroheptan-2-yl)pyridine

3-(1-fluoroheptan-2-yl)pyridine (PubChem CID 150907283) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(1-fluoroheptan-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-fluoroheptan-2-yl)pyridine
PubChem CID150907283
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(1-fluoroheptan-2-yl)pyridine
SMILESCCCCCC(CF)c1cccnc1
InChIInChI=1S/C12H18FN/c1-2-3-4-6-11(9-13)12-7-5-8-14-10-12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyLBGAQWCIARZDRB-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-tridecan-7-ylpyridine
CID 129119745
3-decan-5-ylpyridine
CID 170375029
3-dodecan-5-ylpyridine
CID 71051175
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
3-(1-bromoheptyl)pyridine
CID 140580722
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
1-pyridin-3-yldecylhydrazine
CID 105196150
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
1-pyridin-3-ylhexyl N-methylcarbamate
CID 67346880

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroheptan-2-yl)pyridine?
The IUPAC name of 3-(1-fluoroheptan-2-yl)pyridine (CID 150907283) is 3-(1-fluoroheptan-2-yl)pyridine.
What is the SMILES notation for 3-(1-fluoroheptan-2-yl)pyridine?
The canonical SMILES for 3-(1-fluoroheptan-2-yl)pyridine is CCCCCC(CF)c1cccnc1.
What is the InChIKey of 3-(1-fluoroheptan-2-yl)pyridine?
The InChIKey is LBGAQWCIARZDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-2-3-4-6-11(9-13)12-7-5-8-14-10-12/h5,7-8,10-11H,2-4,6,9H2,1H3.
What are the key properties of 3-(1-fluoroheptan-2-yl)pyridine?
3-(1-fluoroheptan-2-yl)pyridine has a molecular weight of 195.28 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroheptan-2-yl)pyridine is sourced from PubChem (CID 150907283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).