2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol

C8H6F5NO2 — CID 130083326

IUPAC2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
SMILESCOc1c(C(F)(F)F)cnc(C(F)F)c1O
InChIInChI=1S/C8H6F5NO2/c1-16-6-3(8(11,12)13)2-14-4(5(6)15)7(9)10/h2,7,15H,1H3
InChIKeyLCZYHXAYUCLMJK-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.75
Rot. Bonds2

About 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol

2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 130083326) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
PubChem CID130083326
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
SMILESCOc1c(C(F)(F)F)cnc(C(F)F)c1O
InChIInChI=1S/C8H6F5NO2/c1-16-6-3(8(11,12)13)2-14-4(5(6)15)7(9)10/h2,7,15H,1H3
InChIKeyLCZYHXAYUCLMJK-UHFFFAOYSA-N
XLogP2.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol (CID 130083326) is 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol is COc1c(C(F)(F)F)cnc(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is LCZYHXAYUCLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-16-6-3(8(11,12)13)2-14-4(5(6)15)7(9)10/h2,7,15H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol?
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 243.13 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130083326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).