2-(3-butyl-4-fluorophenyl)-3-methylpyridine

C16H18FN — CID 140726876

IUPAC2-(3-butyl-4-fluorophenyl)-3-methylpyridine
SMILESCCCCc1cc(-c2ncccc2C)ccc1F
InChIInChI=1S/C16H18FN/c1-3-4-7-13-11-14(8-9-15(13)17)16-12(2)6-5-10-18-16/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyIJFHSYLBPRGUQD-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.54
Rot. Bonds4

About 2-(3-butyl-4-fluorophenyl)-3-methylpyridine

2-(3-butyl-4-fluorophenyl)-3-methylpyridine (PubChem CID 140726876) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-butyl-4-fluorophenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(3-butyl-4-fluorophenyl)-3-methylpyridine
PubChem CID140726876
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-(3-butyl-4-fluorophenyl)-3-methylpyridine
SMILESCCCCc1cc(-c2ncccc2C)ccc1F
InChIInChI=1S/C16H18FN/c1-3-4-7-13-11-14(8-9-15(13)17)16-12(2)6-5-10-18-16/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyIJFHSYLBPRGUQD-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-butyl-4-fluorophenyl)isoquinoline
CID 140726966
2-(3,4-difluorophenyl)-3-methylpyridine
CID 142635597
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
2-butyl-4-(2-fluorophenyl)-1-methylbenzene
CID 146534667
(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
2-(2-fluoro-5-pyrimidin-2-ylphenyl)ethanol
CID 142687411
azane;2-butyl-3-methylpyridine
CID 175305988
2-chloro-4-(3-methyl-2-pyridinyl)phenol
CID 137043829
[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine
CID 82508499
1-[2-fluoro-4-(3-hydroxy-2-pyridinyl)phenyl]pentan-1-one
CID 143032601
2-(3,5-dibromophenyl)-3-methylpyridine
CID 155769988

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-fluorophenyl)-3-methylpyridine?
The IUPAC name of 2-(3-butyl-4-fluorophenyl)-3-methylpyridine (CID 140726876) is 2-(3-butyl-4-fluorophenyl)-3-methylpyridine.
What is the SMILES notation for 2-(3-butyl-4-fluorophenyl)-3-methylpyridine?
The canonical SMILES for 2-(3-butyl-4-fluorophenyl)-3-methylpyridine is CCCCc1cc(-c2ncccc2C)ccc1F.
What is the InChIKey of 2-(3-butyl-4-fluorophenyl)-3-methylpyridine?
The InChIKey is IJFHSYLBPRGUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-4-7-13-11-14(8-9-15(13)17)16-12(2)6-5-10-18-16/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-butyl-4-fluorophenyl)-3-methylpyridine?
2-(3-butyl-4-fluorophenyl)-3-methylpyridine has a molecular weight of 243.33 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-fluorophenyl)-3-methylpyridine is sourced from PubChem (CID 140726876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).