2-(3-octan-2-ylphenyl)pyridine

C19H25N — CID 76764597

IUPAC2-(3-octan-2-ylphenyl)pyridine
SMILESCCCCCCC(C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H25N/c1-3-4-5-6-10-16(2)17-11-9-12-18(15-17)19-13-7-8-14-20-19/h7-9,11-16H,3-6,10H2,1-2H3
InChIKeyVZZNTMIPDABRJY-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.82
Rot. Bonds7

About 2-(3-octan-2-ylphenyl)pyridine

2-(3-octan-2-ylphenyl)pyridine (PubChem CID 76764597) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(3-octan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-(3-octan-2-ylphenyl)pyridine
PubChem CID76764597
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-(3-octan-2-ylphenyl)pyridine
SMILESCCCCCCC(C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H25N/c1-3-4-5-6-10-16(2)17-11-9-12-18(15-17)19-13-7-8-14-20-19/h7-9,11-16H,3-6,10H2,1-2H3
InChIKeyVZZNTMIPDABRJY-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-octan-2-ylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014
2-[3-[3-(4-hexan-2-ylphenyl)-5-(4-octan-3-ylphenyl)phenoxy]phenyl]pyridine
CID 157200367
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693
3-pentadecan-2-ylphenol
CID 57199867
1-decan-2-yl-3-ethylbenzene
CID 123801933
2-[3-methoxy-5-[(2R)-pentan-2-yl]phenyl]pyridine
CID 162398238
1-decan-2-yl-3-octylbenzene
CID 173491759
tributyl-(3-pyridin-2-ylphenyl)azanium
CID 59782074
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
ethane;3-methylhexane;2-(3-methylphenyl)pyridine
CID 142164843
sulfuric acid;tridecan-2-ylbenzene
CID 70428622

Frequently Asked Questions

What is the IUPAC name of 2-(3-octan-2-ylphenyl)pyridine?
The IUPAC name of 2-(3-octan-2-ylphenyl)pyridine (CID 76764597) is 2-(3-octan-2-ylphenyl)pyridine.
What is the SMILES notation for 2-(3-octan-2-ylphenyl)pyridine?
The canonical SMILES for 2-(3-octan-2-ylphenyl)pyridine is CCCCCCC(C)c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-(3-octan-2-ylphenyl)pyridine?
The InChIKey is VZZNTMIPDABRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-4-5-6-10-16(2)17-11-9-12-18(15-17)19-13-7-8-14-20-19/h7-9,11-16H,3-6,10H2,1-2H3.
What are the key properties of 2-(3-octan-2-ylphenyl)pyridine?
2-(3-octan-2-ylphenyl)pyridine has a molecular weight of 267.42 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-octan-2-ylphenyl)pyridine is sourced from PubChem (CID 76764597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).