4-[2-(3-methylbutyl)phenyl]pyridine

C16H19N — CID 159210275

IUPAC4-[2-(3-methylbutyl)phenyl]pyridine
SMILESCC(C)CCc1ccccc1-c1ccncc1
InChIInChI=1S/C16H19N/c1-13(2)7-8-14-5-3-4-6-16(14)15-9-11-17-12-10-15/h3-6,9-13H,7-8H2,1-2H3
InChIKeyYVIWQUHFBRSCPN-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.34
Rot. Bonds4

About 4-[2-(3-methylbutyl)phenyl]pyridine

4-[2-(3-methylbutyl)phenyl]pyridine (PubChem CID 159210275) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[2-(3-methylbutyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[2-(3-methylbutyl)phenyl]pyridine
PubChem CID159210275
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-[2-(3-methylbutyl)phenyl]pyridine
SMILESCC(C)CCc1ccccc1-c1ccncc1
InChIInChI=1S/C16H19N/c1-13(2)7-8-14-5-3-4-6-16(14)15-9-11-17-12-10-15/h3-6,9-13H,7-8H2,1-2H3
InChIKeyYVIWQUHFBRSCPN-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutyl)phenyl]pyridine?
The IUPAC name of 4-[2-(3-methylbutyl)phenyl]pyridine (CID 159210275) is 4-[2-(3-methylbutyl)phenyl]pyridine.
What is the SMILES notation for 4-[2-(3-methylbutyl)phenyl]pyridine?
The canonical SMILES for 4-[2-(3-methylbutyl)phenyl]pyridine is CC(C)CCc1ccccc1-c1ccncc1.
What is the InChIKey of 4-[2-(3-methylbutyl)phenyl]pyridine?
The InChIKey is YVIWQUHFBRSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13(2)7-8-14-5-3-4-6-16(14)15-9-11-17-12-10-15/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 4-[2-(3-methylbutyl)phenyl]pyridine?
4-[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 4-[2-(3-methylbutyl)phenyl]pyridine is sourced from PubChem (CID 159210275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).