5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol

C11H19NO — CID 123677845

IUPAC5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol
SMILESCC1=CN(CCC(C)C)C(O)C=C1
InChIInChI=1S/C11H19NO/c1-9(2)6-7-12-8-10(3)4-5-11(12)13/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyKVTODDWFXRYGSU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.13
Rot. Bonds3

About 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol

5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol (PubChem CID 123677845) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol
PubChem CID123677845
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol
SMILESCC1=CN(CCC(C)C)C(O)C=C1
InChIInChI=1S/C11H19NO/c1-9(2)6-7-12-8-10(3)4-5-11(12)13/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyKVTODDWFXRYGSU-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-propan-2-yl-5-(trifluoromethyl)-2H-pyridin-2-ol
CID 144581568
(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol
CID 153070584
1-ethyl-4-methyl-2H-pyridin-2-ol
CID 54529917
1,4-bis(prop-2-enyl)-2H-pyridin-2-ol
CID 70408765
4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol
CID 123481407
1,5-diethyl-3-methyl-2H-pyridin-2-ol
CID 123967917
1-methyl-3-(2-methylpropyl)-2H-pyridin-2-ol
CID 126604986
(E)-3-methyl-4-[methyl-[(E)-pent-3-enyl]amino]but-2-en-1-ol
CID 132044705
1-methyl-3-propan-2-yl-2H-pyridin-2-ol
CID 135127171
4-tert-butyl-1-methyl-2H-pyridin-2-ol
CID 135127286
5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol
CID 135179424
1-butyl-3-methyl-2H-pyridin-2-ol
CID 141435027

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol?
The IUPAC name of 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol (CID 123677845) is 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol.
What is the SMILES notation for 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol?
The canonical SMILES for 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol is CC1=CN(CCC(C)C)C(O)C=C1.
What is the InChIKey of 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol?
The InChIKey is KVTODDWFXRYGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)6-7-12-8-10(3)4-5-11(12)13/h4-5,8-9,11,13H,6-7H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol?
5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol has a molecular weight of 181.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol is sourced from PubChem (CID 123677845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).