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

C8H14NO2+ — CID 173412444

IUPAC5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol
SMILESCC1=C(O)C(C)[NH2+]C=C1CO
InChIInChI=1S/C8H13NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,6,9-11H,4H2,1-2H3/p+1
InChIKeyRFHRZVRJMWVHNJ-UHFFFAOYSA-O
MW156.20 g/mol
LogP-0.34
Rot. Bonds1

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

5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol (PubChem CID 173412444) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol
PubChem CID173412444
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol
SMILESCC1=C(O)C(C)[NH2+]C=C1CO
InChIInChI=1S/C8H13NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,6,9-11H,4H2,1-2H3/p+1
InChIKeyRFHRZVRJMWVHNJ-UHFFFAOYSA-O
XLogP-0.34
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol (CID 173412444) is 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol is CC1=C(O)C(C)[NH2+]C=C1CO.
What is the InChIKey of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol?
The InChIKey is RFHRZVRJMWVHNJ-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol?
5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol has a molecular weight of 156.20 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol is sourced from PubChem (CID 173412444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).