3-tridecan-7-ylpyridine

C18H31N — CID 129119745

IUPAC3-tridecan-7-ylpyridine
SMILESCCCCCCC(CCCCCC)c1cccnc1
InChIInChI=1S/C18H31N/c1-3-5-7-9-12-17(13-10-8-6-4-2)18-14-11-15-19-16-18/h11,14-17H,3-10,12-13H2,1-2H3
InChIKeyKAPSCGARSXGNPW-UHFFFAOYSA-N
MW261.45 g/mol
LogP6.11
Rot. Bonds11

About 3-tridecan-7-ylpyridine

3-tridecan-7-ylpyridine (PubChem CID 129119745) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-tridecan-7-ylpyridine.

Molecular Properties

Compound Name3-tridecan-7-ylpyridine
PubChem CID129119745
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-tridecan-7-ylpyridine
SMILESCCCCCCC(CCCCCC)c1cccnc1
InChIInChI=1S/C18H31N/c1-3-5-7-9-12-17(13-10-8-6-4-2)18-14-11-15-19-16-18/h11,14-17H,3-10,12-13H2,1-2H3
InChIKeyKAPSCGARSXGNPW-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

3-dodecan-5-ylpyridine
CID 71051175
3-decan-5-ylpyridine
CID 170375029
3-(1-fluoroheptan-2-yl)pyridine
CID 150907283
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
3-(1-bromoheptyl)pyridine
CID 140580722
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
1-pyridin-3-yldecylhydrazine
CID 105196150
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138

Frequently Asked Questions

What is the IUPAC name of 3-tridecan-7-ylpyridine?
The IUPAC name of 3-tridecan-7-ylpyridine (CID 129119745) is 3-tridecan-7-ylpyridine.
What is the SMILES notation for 3-tridecan-7-ylpyridine?
The canonical SMILES for 3-tridecan-7-ylpyridine is CCCCCCC(CCCCCC)c1cccnc1.
What is the InChIKey of 3-tridecan-7-ylpyridine?
The InChIKey is KAPSCGARSXGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-7-9-12-17(13-10-8-6-4-2)18-14-11-15-19-16-18/h11,14-17H,3-10,12-13H2,1-2H3.
What are the key properties of 3-tridecan-7-ylpyridine?
3-tridecan-7-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 3-tridecan-7-ylpyridine is sourced from PubChem (CID 129119745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).