2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol

C8H8ClF2NO — CID 118809945

IUPAC2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
SMILESCc1c(C(F)F)cnc(CCl)c1O
InChIInChI=1S/C8H8ClF2NO/c1-4-5(8(10)11)3-12-6(2-9)7(4)13/h3,8,13H,2H2,1H3
InChIKeyOKCFAXMVKLODAF-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.77
Rot. Bonds2

About 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol

2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol (PubChem CID 118809945) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol.

Molecular Properties

Compound Name2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
PubChem CID118809945
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
SMILESCc1c(C(F)F)cnc(CCl)c1O
InChIInChI=1S/C8H8ClF2NO/c1-4-5(8(10)11)3-12-6(2-9)7(4)13/h3,8,13H,2H2,1H3
InChIKeyOKCFAXMVKLODAF-UHFFFAOYSA-N
XLogP2.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130090443
2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-methylpyridine
CID 119006119
2-[3-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074461
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
CID 130083736
6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118838293
methyl 6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134664019
ethyl 2-[2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133104197
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
CID 118837290

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol?
The IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol (CID 118809945) is 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol.
What is the SMILES notation for 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol?
The canonical SMILES for 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol is Cc1c(C(F)F)cnc(CCl)c1O.
What is the InChIKey of 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol?
The InChIKey is OKCFAXMVKLODAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-5(8(10)11)3-12-6(2-9)7(4)13/h3,8,13H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol?
2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol has a molecular weight of 207.61 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol is sourced from PubChem (CID 118809945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).