2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol

C12H19NO2 — CID 103449352

IUPAC2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)c1cnccc1C
InChIInChI=1S/C12H19NO2/c1-4-12(15,5-2)11(14)10-8-13-7-6-9(10)3/h6-8,11,14-15H,4-5H2,1-3H3
InChIKeyHXZKMXYVFMMGHP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.97
Rot. Bonds4

About 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol

2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol (PubChem CID 103449352) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
PubChem CID103449352
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)c1cnccc1C
InChIInChI=1S/C12H19NO2/c1-4-12(15,5-2)11(14)10-8-13-7-6-9(10)3/h6-8,11,14-15H,4-5H2,1-3H3
InChIKeyHXZKMXYVFMMGHP-UHFFFAOYSA-N
XLogP1.97
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 79197516
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103457204
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
CID 103449229
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol (CID 103449352) is 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol is CCC(O)(CC)C(O)c1cnccc1C.
What is the InChIKey of 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
The InChIKey is HXZKMXYVFMMGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-12(15,5-2)11(14)10-8-13-7-6-9(10)3/h6-8,11,14-15H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol has a molecular weight of 209.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 103449352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).