1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol

C9H13NO2 — CID 169267261

IUPAC1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
SMILESCc1cnc(C(O)CO)c(C)c1
InChIInChI=1S/C9H13NO2/c1-6-3-7(2)9(10-4-6)8(12)5-11/h3-4,8,11-12H,5H2,1-2H3
InChIKeyQSCLKZXODYHLAZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.72
Rot. Bonds2

About 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol

1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol (PubChem CID 169267261) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
PubChem CID169267261
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
SMILESCc1cnc(C(O)CO)c(C)c1
InChIInChI=1S/C9H13NO2/c1-6-3-7(2)9(10-4-6)8(12)5-11/h3-4,8,11-12H,5H2,1-2H3
InChIKeyQSCLKZXODYHLAZ-UHFFFAOYSA-N
XLogP0.72
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 122701977
(1R)-1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 134543108
2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534
(4-chlorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365542
(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 113365556
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 114982671
1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine
CID 114475839
(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 113365536
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
CID 116543803
3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol
CID 84669773
3-[(3,5-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 130816307

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol (CID 169267261) is 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol is Cc1cnc(C(O)CO)c(C)c1.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol?
The InChIKey is QSCLKZXODYHLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-3-7(2)9(10-4-6)8(12)5-11/h3-4,8,11-12H,5H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol?
1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol has a molecular weight of 167.21 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol is sourced from PubChem (CID 169267261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).