2-(7-phenylheptyl)pyridine

C18H23N — CID 54510986

IUPAC2-(7-phenylheptyl)pyridine
SMILESc1ccc(CCCCCCCc2ccccn2)cc1
InChIInChI=1S/C18H23N/c1(2-5-11-17-12-6-4-7-13-17)3-8-14-18-15-9-10-16-19-18/h4,6-7,9-10,12-13,15-16H,1-3,5,8,11,14H2
InChIKeyVGEBTRJMPNOBJP-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.82
Rot. Bonds8

About 2-(7-phenylheptyl)pyridine

2-(7-phenylheptyl)pyridine (PubChem CID 54510986) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(7-phenylheptyl)pyridine.

Molecular Properties

Compound Name2-(7-phenylheptyl)pyridine
PubChem CID54510986
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(7-phenylheptyl)pyridine
SMILESc1ccc(CCCCCCCc2ccccn2)cc1
InChIInChI=1S/C18H23N/c1(2-5-11-17-12-6-4-7-13-17)3-8-14-18-15-9-10-16-19-18/h4,6-7,9-10,12-13,15-16H,1-3,5,8,11,14H2
InChIKeyVGEBTRJMPNOBJP-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-undecylpyridine
CID 66882765
9-pyridin-2-ylnonan-1-ol
CID 12680899
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746
2-(5-phenoxypentyl)pyridine;hydrochloride
CID 117067687
4-pyridin-2-ylbutylphosphane
CID 175102115
azanium;2-tetradecylpyridine;bromide
CID 157411341
2-oct-7-enylpyridine
CID 57031977
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylheptyl)pyridine?
The IUPAC name of 2-(7-phenylheptyl)pyridine (CID 54510986) is 2-(7-phenylheptyl)pyridine.
What is the SMILES notation for 2-(7-phenylheptyl)pyridine?
The canonical SMILES for 2-(7-phenylheptyl)pyridine is c1ccc(CCCCCCCc2ccccn2)cc1.
What is the InChIKey of 2-(7-phenylheptyl)pyridine?
The InChIKey is VGEBTRJMPNOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1(2-5-11-17-12-6-4-7-13-17)3-8-14-18-15-9-10-16-19-18/h4,6-7,9-10,12-13,15-16H,1-3,5,8,11,14H2.
What are the key properties of 2-(7-phenylheptyl)pyridine?
2-(7-phenylheptyl)pyridine has a molecular weight of 253.39 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenylheptyl)pyridine is sourced from PubChem (CID 54510986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).