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

C8H6F5NO — CID 134672402

IUPAC[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cncc1C(F)(F)F
InChIInChI=1S/C8H6F5NO/c9-7(10)4-1-14-2-6(5(4)3-15)8(11,12)13/h1-2,7,15H,3H2
InChIKeyPCHUWWVFOZDOAF-UHFFFAOYSA-N
MW227.13 g/mol
LogP2.53
Rot. Bonds2

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

[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 134672402) has the molecular formula C8H6F5NO and a molecular weight of 227.13 g/mol. Its IUPAC name is [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID134672402
Molecular FormulaC8H6F5NO
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cncc1C(F)(F)F
InChIInChI=1S/C8H6F5NO/c9-7(10)4-1-14-2-6(5(4)3-15)8(11,12)13/h1-2,7,15H,3H2
InChIKeyPCHUWWVFOZDOAF-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118810424
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
[5-(difluoromethyl)-2-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133098904
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 130087693
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445
3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134664093

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol (CID 134672402) is [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol is OCc1c(C(F)F)cncc1C(F)(F)F.
What is the InChIKey of [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is PCHUWWVFOZDOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO/c9-7(10)4-1-14-2-6(5(4)3-15)8(11,12)13/h1-2,7,15H,3H2.
What are the key properties of [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol?
[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 227.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 134672402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).