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

C8H11Cl2NO2 — CID 90189626

IUPAC2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(O)C(C(Cl)Cl)NC=C1CO
InChIInChI=1S/C8H11Cl2NO2/c1-4-5(3-12)2-11-6(7(4)13)8(9)10/h2,6,8,11-13H,3H2,1H3
InChIKeyLLTAIDZBHSONDN-UHFFFAOYSA-N
MW224.09 g/mol
LogP1.47
Rot. Bonds2

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

2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol (PubChem CID 90189626) has the molecular formula C8H11Cl2NO2 and a molecular weight of 224.09 g/mol. Its IUPAC name is 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol
PubChem CID90189626
Molecular FormulaC8H11Cl2NO2
Molecular Weight224.09 g/mol
Exact Mass223.02
IUPAC Name2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(O)C(C(Cl)Cl)NC=C1CO
InChIInChI=1S/C8H11Cl2NO2/c1-4-5(3-12)2-11-6(7(4)13)8(9)10/h2,6,8,11-13H,3H2,1H3
InChIKeyLLTAIDZBHSONDN-UHFFFAOYSA-N
XLogP1.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol (CID 90189626) is 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol is CC1=C(O)C(C(Cl)Cl)NC=C1CO.
What is the InChIKey of 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol?
The InChIKey is LLTAIDZBHSONDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO2/c1-4-5(3-12)2-11-6(7(4)13)8(9)10/h2,6,8,11-13H,3H2,1H3.
What are the key properties of 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol?
2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol has a molecular weight of 224.09 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-5-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 90189626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).