2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol

C7H6F3NO — CID 130097081

IUPAC2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol
SMILESOc1c(CF)ccnc1C(F)F
InChIInChI=1S/C7H6F3NO/c8-3-4-1-2-11-5(6(4)12)7(9)10/h1-2,7,12H,3H2
InChIKeySMWBCPOEHYXGJA-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.19
Rot. Bonds2

About 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol

2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol (PubChem CID 130097081) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol
PubChem CID130097081
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol
SMILESOc1c(CF)ccnc1C(F)F
InChIInChI=1S/C7H6F3NO/c8-3-4-1-2-11-5(6(4)12)7(9)10/h1-2,7,12H,3H2
InChIKeySMWBCPOEHYXGJA-UHFFFAOYSA-N
XLogP2.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-4-(hydroxymethyl)pyridin-3-ol
CID 118820346
4-(aminomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130097022
2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
CID 130096732
4-(difluoromethyl)-2-(fluoromethyl)pyridin-3-ol
CID 118801747
3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130095522
2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile
CID 130095973
[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130096431
4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine
CID 130094718
3-(fluoromethyl)-2-propan-2-ylpyridine
CID 147644116
2-[4-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134683944
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118818433
5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110213

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol?
The IUPAC name of 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol (CID 130097081) is 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol is Oc1c(CF)ccnc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol?
The InChIKey is SMWBCPOEHYXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-3-4-1-2-11-5(6(4)12)7(9)10/h1-2,7,12H,3H2.
What are the key properties of 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol?
2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol has a molecular weight of 177.12 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130097081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).