1-butyl-3-methyl-2H-pyridin-2-ol

C10H17NO — CID 141435027

IUPAC1-butyl-3-methyl-2H-pyridin-2-ol
SMILESCCCCN1C=CC=C(C)C1O
InChIInChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-9(2)10(11)12/h5-6,8,10,12H,3-4,7H2,1-2H3
InChIKeyBHXIPSPEBSSQLX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.88
Rot. Bonds3

About 1-butyl-3-methyl-2H-pyridin-2-ol

1-butyl-3-methyl-2H-pyridin-2-ol (PubChem CID 141435027) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-pyridin-2-ol
PubChem CID141435027
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-butyl-3-methyl-2H-pyridin-2-ol
SMILESCCCCN1C=CC=C(C)C1O
InChIInChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-9(2)10(11)12/h5-6,8,10,12H,3-4,7H2,1-2H3
InChIKeyBHXIPSPEBSSQLX-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethylpyridin-2-ol
CID 129892127
1-(2-Hydroxybutyl)-3-methylpyridine
CID 129830154
1-Butylpyridin-2-ol
CID 129892130
1-Propylpyridin-2-ol
CID 129892139
6-(Dimethylamino)-2-methylhexa-2,4-dien-1-ol
CID 53774205
1-ethyl-4-methyl-2H-pyridin-2-ol
CID 54529917
(1-methyl-2H-pyridin-3-yl)methanol
CID 70310783
1-(1-butyl-2H-pyridin-1-ium-1-yl)ethanol chloride
CID 70543389
(1-dodecyl-2H-pyridin-3-yl)methanol
CID 70596094
[1-(hydroxymethyl)-2H-pyridin-3-yl]methanol
CID 89156220
1-chloro-3-methyl-2H-pyridin-2-ol
CID 91516559
5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol
CID 123677845

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-pyridin-2-ol?
The IUPAC name of 1-butyl-3-methyl-2H-pyridin-2-ol (CID 141435027) is 1-butyl-3-methyl-2H-pyridin-2-ol.
What is the SMILES notation for 1-butyl-3-methyl-2H-pyridin-2-ol?
The canonical SMILES for 1-butyl-3-methyl-2H-pyridin-2-ol is CCCCN1C=CC=C(C)C1O.
What is the InChIKey of 1-butyl-3-methyl-2H-pyridin-2-ol?
The InChIKey is BHXIPSPEBSSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-9(2)10(11)12/h5-6,8,10,12H,3-4,7H2,1-2H3.
What are the key properties of 1-butyl-3-methyl-2H-pyridin-2-ol?
1-butyl-3-methyl-2H-pyridin-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-pyridin-2-ol is sourced from PubChem (CID 141435027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).