[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol

C8H8ClF2NO — CID 130098363

IUPAC[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(C(F)F)c(CCl)cn1
InChIInChI=1S/C8H8ClF2NO/c9-2-5-3-12-6(4-13)1-7(5)8(10)11/h1,3,8,13H,2,4H2
InChIKeyFMIUUJIVYCREJI-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.25
Rot. Bonds3

About [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol

[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130098363) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130098363
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(C(F)F)c(CCl)cn1
InChIInChI=1S/C8H8ClF2NO/c9-2-5-3-12-6(4-13)1-7(5)8(10)11/h1,3,8,13H,2,4H2
InChIKeyFMIUUJIVYCREJI-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.25
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

[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098028
2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119019335
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098388
2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
CID 130097596
[6-amino-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119013180
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
CID 130085164
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 130098456
[4,5-di(propan-2-yl)-2-pyridinyl]methanol
CID 177367949

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol (CID 130098363) is [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol is OCc1cc(C(F)F)c(CCl)cn1.
What is the InChIKey of [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is FMIUUJIVYCREJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-2-5-3-12-6(4-13)1-7(5)8(10)11/h1,3,8,13H,2,4H2.
What are the key properties of [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 207.61 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130098363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).