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

C8H5F6NO — CID 133104348

IUPAC[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(C(F)F)nc(F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-6(10)4-1-3(2-16)5(7(11)15-4)8(12,13)14/h1,6,16H,2H2
InChIKeyGNIVEMTXCJYHHU-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.67
Rot. Bonds2

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

[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 133104348) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID133104348
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(C(F)F)nc(F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-6(10)4-1-3(2-16)5(7(11)15-4)8(12,13)14/h1,6,16H,2H2
InChIKeyGNIVEMTXCJYHHU-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

6-(difluoromethyl)-2-fluoro-4-methyl-3-(trifluoromethyl)pyridine
CID 133105561
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103752
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
CID 130070073
[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 130087693
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148
[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 118843989

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol (CID 133104348) is [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol is OCc1cc(C(F)F)nc(F)c1C(F)(F)F.
What is the InChIKey of [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is GNIVEMTXCJYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-6(10)4-1-3(2-16)5(7(11)15-4)8(12,13)14/h1,6,16H,2H2.
What are the key properties of [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol?
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-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 [6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 133104348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).