5-methyl-3-pyridin-2-ylhexan-3-ol

C12H19NO — CID 146396813

IUPAC5-methyl-3-pyridin-2-ylhexan-3-ol
SMILESCCC(O)(CC(C)C)c1ccccn1
InChIInChI=1S/C12H19NO/c1-4-12(14,9-10(2)3)11-7-5-6-8-13-11/h5-8,10,14H,4,9H2,1-3H3
InChIKeyAZMLPILIGVFCHP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.73
Rot. Bonds4

About 5-methyl-3-pyridin-2-ylhexan-3-ol

5-methyl-3-pyridin-2-ylhexan-3-ol (PubChem CID 146396813) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-3-pyridin-2-ylhexan-3-ol.

Molecular Properties

Compound Name5-methyl-3-pyridin-2-ylhexan-3-ol
PubChem CID146396813
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-methyl-3-pyridin-2-ylhexan-3-ol
SMILESCCC(O)(CC(C)C)c1ccccn1
InChIInChI=1S/C12H19NO/c1-4-12(14,9-10(2)3)11-7-5-6-8-13-11/h5-8,10,14H,4,9H2,1-3H3
InChIKeyAZMLPILIGVFCHP-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylhexan-3-yl)pyridine
CID 146397049
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
2-(2-ethoxy-4-methylpentan-2-yl)pyridine
CID 146397028
(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 129364593
3-pyridin-2-ylpent-1-yn-3-ol
CID 168787890
6-pyridin-2-ylundecan-6-ol
CID 21415651
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
2-(3-chloro-2-methylpentan-3-yl)pyridine
CID 146396918
2-(1,1-difluoropropyl)pyridine
CID 59088790
3-pyridin-2-ylpent-1-en-3-ol
CID 146396934

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyridin-2-ylhexan-3-ol?
The IUPAC name of 5-methyl-3-pyridin-2-ylhexan-3-ol (CID 146396813) is 5-methyl-3-pyridin-2-ylhexan-3-ol.
What is the SMILES notation for 5-methyl-3-pyridin-2-ylhexan-3-ol?
The canonical SMILES for 5-methyl-3-pyridin-2-ylhexan-3-ol is CCC(O)(CC(C)C)c1ccccn1.
What is the InChIKey of 5-methyl-3-pyridin-2-ylhexan-3-ol?
The InChIKey is AZMLPILIGVFCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(14,9-10(2)3)11-7-5-6-8-13-11/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 5-methyl-3-pyridin-2-ylhexan-3-ol?
5-methyl-3-pyridin-2-ylhexan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyridin-2-ylhexan-3-ol is sourced from PubChem (CID 146396813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).