[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol

C9H8F5NO2 — CID 118824102

IUPAC[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1cnc(C(F)(F)F)c(CO)c1C(F)F
InChIInChI=1S/C9H8F5NO2/c1-17-5-2-15-7(9(12,13)14)4(3-16)6(5)8(10)11/h2,8,16H,3H2,1H3
InChIKeyUXFNEDBACOWCIT-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.54
Rot. Bonds3

About [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol

[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118824102) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118824102
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1cnc(C(F)(F)F)c(CO)c1C(F)F
InChIInChI=1S/C9H8F5NO2/c1-17-5-2-15-7(9(12,13)14)4(3-16)6(5)8(10)11/h2,8,16H,3H2,1H3
InChIKeyUXFNEDBACOWCIT-UHFFFAOYSA-N
XLogP2.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol (CID 118824102) is [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol is COc1cnc(C(F)(F)F)c(CO)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is UXFNEDBACOWCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c1-17-5-2-15-7(9(12,13)14)4(3-16)6(5)8(10)11/h2,8,16H,3H2,1H3.
What are the key properties of [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 257.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118824102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).