5-hexyl-2-methyl-3-phenylpyridine

C18H23N — CID 102336326

IUPAC5-hexyl-2-methyl-3-phenylpyridine
SMILESCCCCCCc1cnc(C)c(-c2ccccc2)c1
InChIInChI=1S/C18H23N/c1-3-4-5-7-10-16-13-18(15(2)19-14-16)17-11-8-6-9-12-17/h6,8-9,11-14H,3-5,7,10H2,1-2H3
InChIKeyXCHYUSDEHQNLJZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.18
Rot. Bonds6

About 5-hexyl-2-methyl-3-phenylpyridine

5-hexyl-2-methyl-3-phenylpyridine (PubChem CID 102336326) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-hexyl-2-methyl-3-phenylpyridine.

Molecular Properties

Compound Name5-hexyl-2-methyl-3-phenylpyridine
PubChem CID102336326
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name5-hexyl-2-methyl-3-phenylpyridine
SMILESCCCCCCc1cnc(C)c(-c2ccccc2)c1
InChIInChI=1S/C18H23N/c1-3-4-5-7-10-16-13-18(15(2)19-14-16)17-11-8-6-9-12-17/h6,8-9,11-14H,3-5,7,10H2,1-2H3
InChIKeyXCHYUSDEHQNLJZ-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.18
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-methyl-4-nonyl-6-phenylphenol
CID 174342860
5-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488
5-hexyl-2-(4-phenylphenyl)pyrimidine
CID 21393178
2-octylazulene
CID 101406191
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
(5-hexyl-2,3-diphenylphenyl)-trimethylsilane
CID 102204410
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
4-pentyl-2-phenylphenol
CID 154147556
2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine
CID 140867035
1-pentadecyl-4-phenylbenzene
CID 57166115
2,5-dibutyl-3-phenylphenol
CID 122215941

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-methyl-3-phenylpyridine?
The IUPAC name of 5-hexyl-2-methyl-3-phenylpyridine (CID 102336326) is 5-hexyl-2-methyl-3-phenylpyridine.
What is the SMILES notation for 5-hexyl-2-methyl-3-phenylpyridine?
The canonical SMILES for 5-hexyl-2-methyl-3-phenylpyridine is CCCCCCc1cnc(C)c(-c2ccccc2)c1.
What is the InChIKey of 5-hexyl-2-methyl-3-phenylpyridine?
The InChIKey is XCHYUSDEHQNLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-4-5-7-10-16-13-18(15(2)19-14-16)17-11-8-6-9-12-17/h6,8-9,11-14H,3-5,7,10H2,1-2H3.
What are the key properties of 5-hexyl-2-methyl-3-phenylpyridine?
5-hexyl-2-methyl-3-phenylpyridine has a molecular weight of 253.39 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-methyl-3-phenylpyridine is sourced from PubChem (CID 102336326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).