5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol

C8H13NO2 — CID 19368202

IUPAC5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(O)C(C)NC=C1CO
InChIInChI=1S/C8H13NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,6,9-11H,4H2,1-2H3
InChIKeyRFHRZVRJMWVHNJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.69
Rot. Bonds1

About 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol

5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol (PubChem CID 19368202) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol
PubChem CID19368202
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(O)C(C)NC=C1CO
InChIInChI=1S/C8H13NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,6,9-11H,4H2,1-2H3
InChIKeyRFHRZVRJMWVHNJ-UHFFFAOYSA-N
XLogP0.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol (CID 19368202) is 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol is CC1=C(O)C(C)NC=C1CO.
What is the InChIKey of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol?
The InChIKey is RFHRZVRJMWVHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,6,9-11H,4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol?
5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol has a molecular weight of 155.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 19368202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).