2-(6-chloro-3-pyridinyl)octan-1-ol

C13H20ClNO — CID 59729434

IUPAC2-(6-chloro-3-pyridinyl)octan-1-ol
SMILESCCCCCCC(CO)c1ccc(Cl)nc1
InChIInChI=1S/C13H20ClNO/c1-2-3-4-5-6-12(10-16)11-7-8-13(14)15-9-11/h7-9,12,16H,2-6,10H2,1H3
InChIKeyWSFJGOOJYYSYFB-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.78
Rot. Bonds7

About 2-(6-chloro-3-pyridinyl)octan-1-ol

2-(6-chloro-3-pyridinyl)octan-1-ol (PubChem CID 59729434) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)octan-1-ol.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)octan-1-ol
PubChem CID59729434
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(6-chloro-3-pyridinyl)octan-1-ol
SMILESCCCCCCC(CO)c1ccc(Cl)nc1
InChIInChI=1S/C13H20ClNO/c1-2-3-4-5-6-12(10-16)11-7-8-13(14)15-9-11/h7-9,12,16H,2-6,10H2,1H3
InChIKeyWSFJGOOJYYSYFB-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(6-chloro-3-pyridinyl)octan-1-ol
CID 124567268
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
2-chloro-5-pentan-3-ylpyridine
CID 134459618
5-decan-5-yl-2-methylpyridine
CID 91157636
2-(3-methylphenyl)undecan-1-ol
CID 79417930
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
4-hexadecan-7-ylphenol
CID 71320883
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
3-tridecan-7-ylpyridine
CID 129119745
S-[1-(6-chloro-3-pyridinyl)ethyl] ethanethioate
CID 87319082
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)octan-1-ol?
The IUPAC name of 2-(6-chloro-3-pyridinyl)octan-1-ol (CID 59729434) is 2-(6-chloro-3-pyridinyl)octan-1-ol.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)octan-1-ol?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)octan-1-ol is CCCCCCC(CO)c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)octan-1-ol?
The InChIKey is WSFJGOOJYYSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-3-4-5-6-12(10-16)11-7-8-13(14)15-9-11/h7-9,12,16H,2-6,10H2,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)octan-1-ol?
2-(6-chloro-3-pyridinyl)octan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)octan-1-ol is sourced from PubChem (CID 59729434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).