3-[2-(difluoromethyl)-4-pyridinyl]phenol

C12H9F2NO — CID 165475552

IUPAC3-[2-(difluoromethyl)-4-pyridinyl]phenol
SMILESOc1cccc(-c2ccnc(C(F)F)c2)c1
InChIInChI=1S/C12H9F2NO/c13-12(14)11-7-9(4-5-15-11)8-2-1-3-10(16)6-8/h1-7,12,16H
InChIKeyQQQCFIAHDCSQLQ-UHFFFAOYSA-N
MW221.21 g/mol
LogP3.39
Rot. Bonds2

About 3-[2-(difluoromethyl)-4-pyridinyl]phenol

3-[2-(difluoromethyl)-4-pyridinyl]phenol (PubChem CID 165475552) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-4-pyridinyl]phenol
PubChem CID165475552
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-[2-(difluoromethyl)-4-pyridinyl]phenol
SMILESOc1cccc(-c2ccnc(C(F)F)c2)c1
InChIInChI=1S/C12H9F2NO/c13-12(14)11-7-9(4-5-15-11)8-2-1-3-10(16)6-8/h1-7,12,16H
InChIKeyQQQCFIAHDCSQLQ-UHFFFAOYSA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]phenol?
The IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]phenol (CID 165475552) is 3-[2-(difluoromethyl)-4-pyridinyl]phenol.
What is the SMILES notation for 3-[2-(difluoromethyl)-4-pyridinyl]phenol?
The canonical SMILES for 3-[2-(difluoromethyl)-4-pyridinyl]phenol is Oc1cccc(-c2ccnc(C(F)F)c2)c1.
What is the InChIKey of 3-[2-(difluoromethyl)-4-pyridinyl]phenol?
The InChIKey is QQQCFIAHDCSQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c13-12(14)11-7-9(4-5-15-11)8-2-1-3-10(16)6-8/h1-7,12,16H.
What are the key properties of 3-[2-(difluoromethyl)-4-pyridinyl]phenol?
3-[2-(difluoromethyl)-4-pyridinyl]phenol has a molecular weight of 221.21 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-4-pyridinyl]phenol is sourced from PubChem (CID 165475552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).