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

C10H15NO2 — CID 103448896

IUPAC3-methyl-1-pyridin-4-ylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccncc1
InChIInChI=1S/C10H15NO2/c1-10(2,13)9(12)7-8-3-5-11-6-4-8/h3-6,9,12-13H,7H2,1-2H3
InChIKeyPWSGGQOMVIGFSD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.76
Rot. Bonds3

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

3-methyl-1-pyridin-4-ylbutane-2,3-diol (PubChem CID 103448896) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-1-pyridin-4-ylbutane-2,3-diol.

Molecular Properties

Compound Name3-methyl-1-pyridin-4-ylbutane-2,3-diol
PubChem CID103448896
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-methyl-1-pyridin-4-ylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccncc1
InChIInChI=1S/C10H15NO2/c1-10(2,13)9(12)7-8-3-5-11-6-4-8/h3-6,9,12-13H,7H2,1-2H3
InChIKeyPWSGGQOMVIGFSD-UHFFFAOYSA-N
XLogP0.76
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
3,3-dimethyl-2-(pyridin-4-ylmethyl)butanoic acid
CID 83136840
1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448967
2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 66461098
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
3-propyl-1-pyridin-4-ylhexan-2-ol
CID 82995140
2-hydroxy-3-pyridin-4-ylpropanethial
CID 54087654
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
4-(2,2-dimethylpropyl)pyridine
CID 22960904

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-4-ylbutane-2,3-diol?
The IUPAC name of 3-methyl-1-pyridin-4-ylbutane-2,3-diol (CID 103448896) is 3-methyl-1-pyridin-4-ylbutane-2,3-diol.
What is the SMILES notation for 3-methyl-1-pyridin-4-ylbutane-2,3-diol?
The canonical SMILES for 3-methyl-1-pyridin-4-ylbutane-2,3-diol is CC(C)(O)C(O)Cc1ccncc1.
What is the InChIKey of 3-methyl-1-pyridin-4-ylbutane-2,3-diol?
The InChIKey is PWSGGQOMVIGFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,13)9(12)7-8-3-5-11-6-4-8/h3-6,9,12-13H,7H2,1-2H3.
What are the key properties of 3-methyl-1-pyridin-4-ylbutane-2,3-diol?
3-methyl-1-pyridin-4-ylbutane-2,3-diol has a molecular weight of 181.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-4-ylbutane-2,3-diol is sourced from PubChem (CID 103448896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).