1-butyl-5-fluoro-3,6-dihydro-2H-pyridine

C9H16FN — CID 126997655

IUPAC1-butyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCCCCN1CCC=C(F)C1
InChIInChI=1S/C9H16FN/c1-2-3-6-11-7-4-5-9(10)8-11/h5H,2-4,6-8H2,1H3
InChIKeyHAVSIVPFWFKKNX-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.35
Rot. Bonds3

About 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine

1-butyl-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 126997655) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butyl-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID126997655
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-butyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCCCCN1CCC=C(F)C1
InChIInChI=1S/C9H16FN/c1-2-3-6-11-7-4-5-9(10)8-11/h5H,2-4,6-8H2,1H3
InChIKeyHAVSIVPFWFKKNX-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
1-Methyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3056866
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
N-butyl-1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 22638271
N-butyl-N-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
CID 23123359
4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799114
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine
CID 69192057
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine (CID 126997655) is 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine is CCCCN1CCC=C(F)C1.
What is the InChIKey of 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is HAVSIVPFWFKKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-3-6-11-7-4-5-9(10)8-11/h5H,2-4,6-8H2,1H3.
What are the key properties of 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
1-butyl-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126997655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).