3-[2-(3-methylbutyl)phenyl]pyridine

C16H19N — CID 159924713

IUPAC3-[2-(3-methylbutyl)phenyl]pyridine
SMILESCC(C)CCc1ccccc1-c1cccnc1
InChIInChI=1S/C16H19N/c1-13(2)9-10-14-6-3-4-8-16(14)15-7-5-11-17-12-15/h3-8,11-13H,9-10H2,1-2H3
InChIKeyLZJBCTRSJUUKCM-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.34
Rot. Bonds4

About 3-[2-(3-methylbutyl)phenyl]pyridine

3-[2-(3-methylbutyl)phenyl]pyridine (PubChem CID 159924713) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[2-(3-methylbutyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[2-(3-methylbutyl)phenyl]pyridine
PubChem CID159924713
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name3-[2-(3-methylbutyl)phenyl]pyridine
SMILESCC(C)CCc1ccccc1-c1cccnc1
InChIInChI=1S/C16H19N/c1-13(2)9-10-14-6-3-4-8-16(14)15-7-5-11-17-12-15/h3-8,11-13H,9-10H2,1-2H3
InChIKeyLZJBCTRSJUUKCM-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3-methylbutyl)phenyl]pyridine
CID 159210275
N,N-dimethyl-1-(2-pyridin-3-ylphenyl)methanamine
CID 90921130
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
1,3-difluoro-5-[2-(3-methylbutyl)phenyl]benzene
CID 157378701
bis(2-methylpropane);3-pyridin-3-ylpyridine
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3-(2-methylphenyl)pyridine
CID 4133191
methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride
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CID 159621881
1-[4-[3-methylbutyl-[(2-phenylphenyl)methyl]amino]phenyl]-4-pyridin-3-ylbutan-2-one
CID 158916420
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride
CID 10244675
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutyl)phenyl]pyridine?
The IUPAC name of 3-[2-(3-methylbutyl)phenyl]pyridine (CID 159924713) is 3-[2-(3-methylbutyl)phenyl]pyridine.
What is the SMILES notation for 3-[2-(3-methylbutyl)phenyl]pyridine?
The canonical SMILES for 3-[2-(3-methylbutyl)phenyl]pyridine is CC(C)CCc1ccccc1-c1cccnc1.
What is the InChIKey of 3-[2-(3-methylbutyl)phenyl]pyridine?
The InChIKey is LZJBCTRSJUUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13(2)9-10-14-6-3-4-8-16(14)15-7-5-11-17-12-15/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 3-[2-(3-methylbutyl)phenyl]pyridine?
3-[2-(3-methylbutyl)phenyl]pyridine has a molecular weight of 225.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutyl)phenyl]pyridine is sourced from PubChem (CID 159924713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).