4-methyl-1-pyridin-2-ylpentane-2,3-diol

C11H17NO2 — CID 103456469

IUPAC4-methyl-1-pyridin-2-ylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccccn1
InChIInChI=1S/C11H17NO2/c1-8(2)11(14)10(13)7-9-5-3-4-6-12-9/h3-6,8,10-11,13-14H,7H2,1-2H3
InChIKeyNSDOHORQHQVNCS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.00
Rot. Bonds4

About 4-methyl-1-pyridin-2-ylpentane-2,3-diol

4-methyl-1-pyridin-2-ylpentane-2,3-diol (PubChem CID 103456469) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-methyl-1-pyridin-2-ylpentane-2,3-diol.

Molecular Properties

Compound Name4-methyl-1-pyridin-2-ylpentane-2,3-diol
PubChem CID103456469
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-methyl-1-pyridin-2-ylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccccn1
InChIInChI=1S/C11H17NO2/c1-8(2)11(14)10(13)7-9-5-3-4-6-12-9/h3-6,8,10-11,13-14H,7H2,1-2H3
InChIKeyNSDOHORQHQVNCS-UHFFFAOYSA-N
XLogP1.00
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1,2-dipyridin-2-ylethanol
CID 11458306
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
CID 115810990
(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol
CID 145217845
(3,4-dimethyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315374
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyridin-2-ylpentane-2,3-diol?
The IUPAC name of 4-methyl-1-pyridin-2-ylpentane-2,3-diol (CID 103456469) is 4-methyl-1-pyridin-2-ylpentane-2,3-diol.
What is the SMILES notation for 4-methyl-1-pyridin-2-ylpentane-2,3-diol?
The canonical SMILES for 4-methyl-1-pyridin-2-ylpentane-2,3-diol is CC(C)C(O)C(O)Cc1ccccn1.
What is the InChIKey of 4-methyl-1-pyridin-2-ylpentane-2,3-diol?
The InChIKey is NSDOHORQHQVNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)11(14)10(13)7-9-5-3-4-6-12-9/h3-6,8,10-11,13-14H,7H2,1-2H3.
What are the key properties of 4-methyl-1-pyridin-2-ylpentane-2,3-diol?
4-methyl-1-pyridin-2-ylpentane-2,3-diol has a molecular weight of 195.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-2-ylpentane-2,3-diol is sourced from PubChem (CID 103456469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).