1-pyridin-3-ylundecan-3-ol

C16H27NO — CID 105085819

IUPAC1-pyridin-3-ylundecan-3-ol
SMILESCCCCCCCCC(O)CCc1cccnc1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-10-16(18)12-11-15-9-8-13-17-14-15/h8-9,13-14,16,18H,2-7,10-12H2,1H3
InChIKeyXCQRXTSGVWWZAA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.13
Rot. Bonds10

About 1-pyridin-3-ylundecan-3-ol

1-pyridin-3-ylundecan-3-ol (PubChem CID 105085819) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-pyridin-3-ylundecan-3-ol.

Molecular Properties

Compound Name1-pyridin-3-ylundecan-3-ol
PubChem CID105085819
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-pyridin-3-ylundecan-3-ol
SMILESCCCCCCCCC(O)CCc1cccnc1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-10-16(18)12-11-15-9-8-13-17-14-15/h8-9,13-14,16,18H,2-7,10-12H2,1H3
InChIKeyXCQRXTSGVWWZAA-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-3-ylnonan-3-ylhydrazine
CID 105294051
N-ethyl-1-pyridin-3-yldecan-3-amine
CID 105125052
3-(2-hexyloctyl)pyridine
CID 167277838
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-(3-methylphenyl)nonan-3-ol
CID 105085389
3-(9-methyldodecyl)pyridine
CID 91204403
fluoro 5-hydroxy-7-pyridin-3-ylheptanoate
CID 174893409
1-phenylheptan-3-ol
CID 10420110
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
3-(14-methylpentadecyl)pyridine
CID 19697272

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylundecan-3-ol?
The IUPAC name of 1-pyridin-3-ylundecan-3-ol (CID 105085819) is 1-pyridin-3-ylundecan-3-ol.
What is the SMILES notation for 1-pyridin-3-ylundecan-3-ol?
The canonical SMILES for 1-pyridin-3-ylundecan-3-ol is CCCCCCCCC(O)CCc1cccnc1.
What is the InChIKey of 1-pyridin-3-ylundecan-3-ol?
The InChIKey is XCQRXTSGVWWZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-6-7-10-16(18)12-11-15-9-8-13-17-14-15/h8-9,13-14,16,18H,2-7,10-12H2,1H3.
What are the key properties of 1-pyridin-3-ylundecan-3-ol?
1-pyridin-3-ylundecan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylundecan-3-ol is sourced from PubChem (CID 105085819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).