(1-dodecyl-2H-pyridin-3-yl)methanol

C18H33NO — CID 70596094

IUPAC(1-dodecyl-2H-pyridin-3-yl)methanol
SMILESCCCCCCCCCCCCN1C=CC=C(CO)C1
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-18(16-19)17-20/h12-13,15,20H,2-11,14,16-17H2,1H3
InChIKeyLPJVYVBZCUSCSF-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.66
Rot. Bonds12

About (1-dodecyl-2H-pyridin-3-yl)methanol

(1-dodecyl-2H-pyridin-3-yl)methanol (PubChem CID 70596094) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (1-dodecyl-2H-pyridin-3-yl)methanol.

Molecular Properties

Compound Name(1-dodecyl-2H-pyridin-3-yl)methanol
PubChem CID70596094
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(1-dodecyl-2H-pyridin-3-yl)methanol
SMILESCCCCCCCCCCCCN1C=CC=C(CO)C1
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-18(16-19)17-20/h12-13,15,20H,2-11,14,16-17H2,1H3
InChIKeyLPJVYVBZCUSCSF-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of (1-dodecyl-2H-pyridin-3-yl)methanol?
The IUPAC name of (1-dodecyl-2H-pyridin-3-yl)methanol (CID 70596094) is (1-dodecyl-2H-pyridin-3-yl)methanol.
What is the SMILES notation for (1-dodecyl-2H-pyridin-3-yl)methanol?
The canonical SMILES for (1-dodecyl-2H-pyridin-3-yl)methanol is CCCCCCCCCCCCN1C=CC=C(CO)C1.
What is the InChIKey of (1-dodecyl-2H-pyridin-3-yl)methanol?
The InChIKey is LPJVYVBZCUSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-18(16-19)17-20/h12-13,15,20H,2-11,14,16-17H2,1H3.
What are the key properties of (1-dodecyl-2H-pyridin-3-yl)methanol?
(1-dodecyl-2H-pyridin-3-yl)methanol has a molecular weight of 279.47 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecyl-2H-pyridin-3-yl)methanol is sourced from PubChem (CID 70596094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).