2-tridecan-6-ylpyridine

C18H31N — CID 139295924

IUPAC2-tridecan-6-ylpyridine
SMILESCCCCCCCC(CCCCC)c1ccccn1
InChIInChI=1S/C18H31N/c1-3-5-7-8-10-14-17(13-9-6-4-2)18-15-11-12-16-19-18/h11-12,15-17H,3-10,13-14H2,1-2H3
InChIKeyATQMACJXAIFZQG-UHFFFAOYSA-N
MW261.45 g/mol
LogP6.11
Rot. Bonds11

About 2-tridecan-6-ylpyridine

2-tridecan-6-ylpyridine (PubChem CID 139295924) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-tridecan-6-ylpyridine.

Molecular Properties

Compound Name2-tridecan-6-ylpyridine
PubChem CID139295924
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-tridecan-6-ylpyridine
SMILESCCCCCCCC(CCCCC)c1ccccn1
InChIInChI=1S/C18H31N/c1-3-5-7-8-10-14-17(13-9-6-4-2)18-15-11-12-16-19-18/h11-12,15-17H,3-10,13-14H2,1-2H3
InChIKeyATQMACJXAIFZQG-UHFFFAOYSA-N
XLogP6.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 56.11
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-decan-4-ylpyridine
CID 67882797
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
2-(1-bromohexadecyl)pyridine;hydrate
CID 175001127
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
1-pyridin-2-yloctylhydrazine
CID 105195796
3-pyridin-2-ylheptanenitrile
CID 70542151
2-pyridin-2-ylnonan-3-amine
CID 114753071
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
ethane;2-pentan-3-ylpyridine
CID 142883968
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
4-pyridin-2-ylheptanal
CID 88746457
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817

Frequently Asked Questions

What is the IUPAC name of 2-tridecan-6-ylpyridine?
The IUPAC name of 2-tridecan-6-ylpyridine (CID 139295924) is 2-tridecan-6-ylpyridine.
What is the SMILES notation for 2-tridecan-6-ylpyridine?
The canonical SMILES for 2-tridecan-6-ylpyridine is CCCCCCCC(CCCCC)c1ccccn1.
What is the InChIKey of 2-tridecan-6-ylpyridine?
The InChIKey is ATQMACJXAIFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-7-8-10-14-17(13-9-6-4-2)18-15-11-12-16-19-18/h11-12,15-17H,3-10,13-14H2,1-2H3.
What are the key properties of 2-tridecan-6-ylpyridine?
2-tridecan-6-ylpyridine has a molecular weight of 261.45 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecan-6-ylpyridine is sourced from PubChem (CID 139295924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).