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

C8H8ClF2NO — CID 130083736

IUPAC6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
SMILESCc1nc(CCl)cc(C(F)F)c1O
InChIInChI=1S/C8H8ClF2NO/c1-4-7(13)6(8(10)11)2-5(3-9)12-4/h2,8,13H,3H2,1H3
InChIKeyTURGLFIURSYILW-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.77
Rot. Bonds2

About 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol

6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol (PubChem CID 130083736) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
PubChem CID130083736
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
SMILESCc1nc(CCl)cc(C(F)F)c1O
InChIInChI=1S/C8H8ClF2NO/c1-4-7(13)6(8(10)11)2-5(3-9)12-4/h2,8,13H,3H2,1H3
InChIKeyTURGLFIURSYILW-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'}

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Related Compounds

4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine
CID 130097600
2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
CID 130097596
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
[4-(difluoromethyl)-5-iodo-6-methyl-2-pyridinyl]methanol
CID 118800735
2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
CID 118809945
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675365
6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
methyl 3-bromo-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 130070767
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130085231

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol (CID 130083736) is 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol is Cc1nc(CCl)cc(C(F)F)c1O.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol?
The InChIKey is TURGLFIURSYILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-7(13)6(8(10)11)2-5(3-9)12-4/h2,8,13H,3H2,1H3.
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol?
6-(chloromethyl)-4-(difluoromethyl)-2-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 6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 130083736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).