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

C8H5F6NO — CID 133103764

IUPAC[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(F)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F6NO/c9-5-1-3(8(12,13)14)6(7(10)11)4(2-16)15-5/h1,7,16H,2H2
InChIKeyCKWVELWIPYHDCR-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.67
Rot. Bonds2

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

[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 133103764) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID133103764
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(F)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F6NO/c9-5-1-3(8(12,13)14)6(7(10)11)4(2-16)15-5/h1,7,16H,2H2
InChIKeyCKWVELWIPYHDCR-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862
[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118806568
[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118834949
[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 118843740
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851075
2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
CID 118855086
2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol (CID 133103764) is [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol is OCc1nc(F)cc(C(F)(F)F)c1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is CKWVELWIPYHDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-5-1-3(8(12,13)14)6(7(10)11)4(2-16)15-5/h1,7,16H,2H2.
What are the key properties of [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol?
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 245.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 133103764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).