2-oct-1-ynylpyridine

C13H17N — CID 12931148

IUPAC2-oct-1-ynylpyridine
SMILESCCCCCCC#Cc1ccccn1
InChIInChI=1S/C13H17N/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-13/h8-9,11-12H,2-6H2,1H3
InChIKeyMSNPEUPJWVQBKI-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.40
Rot. Bonds4

About 2-oct-1-ynylpyridine

2-oct-1-ynylpyridine (PubChem CID 12931148) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-oct-1-ynylpyridine.

Molecular Properties

Compound Name2-oct-1-ynylpyridine
PubChem CID12931148
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-oct-1-ynylpyridine
SMILESCCCCCCC#Cc1ccccn1
InChIInChI=1S/C13H17N/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-13/h8-9,11-12H,2-6H2,1H3
InChIKeyMSNPEUPJWVQBKI-UHFFFAOYSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dec-1-ynylpyrimidine
CID 71528041
1,2-bis(oct-1-ynyl)benzene
CID 11087701
2-oct-1-ynyl-4-propan-2-ylpyridine
CID 102340215
4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride
CID 69041550
tridec-1-ynylbenzene
CID 19991064
ethane;non-1-ynylbenzene
CID 143616673
5-pyridin-2-ylpent-4-ynoic acid
CID 66598382
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane
CID 11825519
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine
CID 159060805
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723

Frequently Asked Questions

What is the IUPAC name of 2-oct-1-ynylpyridine?
The IUPAC name of 2-oct-1-ynylpyridine (CID 12931148) is 2-oct-1-ynylpyridine.
What is the SMILES notation for 2-oct-1-ynylpyridine?
The canonical SMILES for 2-oct-1-ynylpyridine is CCCCCCC#Cc1ccccn1.
What is the InChIKey of 2-oct-1-ynylpyridine?
The InChIKey is MSNPEUPJWVQBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-13/h8-9,11-12H,2-6H2,1H3.
What are the key properties of 2-oct-1-ynylpyridine?
2-oct-1-ynylpyridine has a molecular weight of 187.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-1-ynylpyridine is sourced from PubChem (CID 12931148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).