[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol

C8H7ClF3NO — CID 130082233

IUPAC[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
SMILESOCc1c(CCl)cc(C(F)F)nc1F
InChIInChI=1S/C8H7ClF3NO/c9-2-4-1-6(7(10)11)13-8(12)5(4)3-14/h1,7,14H,2-3H2
InChIKeyJUTIWJSHAGZPIC-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.39
Rot. Bonds3

About [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol

[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol (PubChem CID 130082233) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
PubChem CID130082233
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
SMILESOCc1c(CCl)cc(C(F)F)nc1F
InChIInChI=1S/C8H7ClF3NO/c9-2-4-1-6(7(10)11)13-8(12)5(4)3-14/h1,7,14H,2-3H2
InChIKeyJUTIWJSHAGZPIC-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 133104348
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070605
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471
3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
CID 130076141
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130107519
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
[2-amino-4-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 119002852
[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
CID 130070073

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol?
The IUPAC name of [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol (CID 130082233) is [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol is OCc1c(CCl)cc(C(F)F)nc1F.
What is the InChIKey of [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol?
The InChIKey is JUTIWJSHAGZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-2-4-1-6(7(10)11)13-8(12)5(4)3-14/h1,7,14H,2-3H2.
What are the key properties of [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol?
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol has a molecular weight of 225.60 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 130082233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).