4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol

C8H8ClF2NO2 — CID 130085164

IUPAC4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
SMILESOCc1cc(CCl)c(O)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NO2/c9-2-4-1-5(3-13)12-6(7(4)14)8(10)11/h1,8,13-14H,2-3H2
InChIKeyKGBJBVRRLMFZQO-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.96
Rot. Bonds3

About 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol

4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol (PubChem CID 130085164) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
PubChem CID130085164
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
SMILESOCc1cc(CCl)c(O)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NO2/c9-2-4-1-5(3-13)12-6(7(4)14)8(10)11/h1,8,13-14H,2-3H2
InChIKeyKGBJBVRRLMFZQO-UHFFFAOYSA-N
XLogP1.96
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130085231
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 119019383
4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
[6-(difluoromethyl)-5-fluoro-4-methoxy-2-pyridinyl]methanol
CID 118809132
4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 118811585
2-[3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130070813
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol?
The IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol (CID 130085164) is 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol.
What is the SMILES notation for 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol?
The canonical SMILES for 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol is OCc1cc(CCl)c(O)c(C(F)F)n1.
What is the InChIKey of 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol?
The InChIKey is KGBJBVRRLMFZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c9-2-4-1-5(3-13)12-6(7(4)14)8(10)11/h1,8,13-14H,2-3H2.
What are the key properties of 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol?
4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol has a molecular weight of 223.61 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol is sourced from PubChem (CID 130085164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).