5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol

C7H11NO2 — CID 173195912

IUPAC5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC=C(CO)C=C1O
InChIInChI=1S/C7H11NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-3,5,8-10H,4H2,1H3
InChIKeyBJCKAASPDDEXOA-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.30
Rot. Bonds1

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

5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol (PubChem CID 173195912) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
PubChem CID173195912
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC=C(CO)C=C1O
InChIInChI=1S/C7H11NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-3,5,8-10H,4H2,1H3
InChIKeyBJCKAASPDDEXOA-UHFFFAOYSA-N
XLogP0.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol (CID 173195912) is 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol is CC1NC=C(CO)C=C1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
The InChIKey is BJCKAASPDDEXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-3,5,8-10H,4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol has a molecular weight of 141.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 173195912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).