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

C8H14ClNO2 — CID 69478925

IUPAC5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride
SMILESCC1=C(O)C(C)NC=C1CO.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,6,9-11H,4H2,1-2H3;1H
InChIKeyKHTWSJQPIXHPSG-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.11
Rot. Bonds1

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

5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride (PubChem CID 69478925) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride
PubChem CID69478925
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride
SMILESCC1=C(O)C(C)NC=C1CO.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,6,9-11H,4H2,1-2H3;1H
InChIKeyKHTWSJQPIXHPSG-UHFFFAOYSA-N
XLogP1.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.11
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;hydrochloride?
The IUPAC name of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride (CID 69478925) is 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride.
What is the SMILES notation for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride?
The canonical SMILES for 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride is CC1=C(O)C(C)NC=C1CO.Cl.
What is the InChIKey of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride?
The InChIKey is KHTWSJQPIXHPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,6,9-11H,4H2,1-2H3;1H.
What are the key properties of 5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride?
5-(hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.11, 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;hydrochloride is sourced from PubChem (CID 69478925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).