(2,3-difluorophenyl)-isoquinolin-4-ylmethanol

C16H11F2NO — CID 63939378

IUPAC(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
SMILESOC(c1cccc(F)c1F)c1cncc2ccccc12
InChIInChI=1S/C16H11F2NO/c17-14-7-3-6-12(15(14)18)16(20)13-9-19-8-10-4-1-2-5-11(10)13/h1-9,16,20H
InChIKeyZTPMELXCZMOOSN-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.59
Rot. Bonds2

About (2,3-difluorophenyl)-isoquinolin-4-ylmethanol

(2,3-difluorophenyl)-isoquinolin-4-ylmethanol (PubChem CID 63939378) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is (2,3-difluorophenyl)-isoquinolin-4-ylmethanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
PubChem CID63939378
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
SMILESOC(c1cccc(F)c1F)c1cncc2ccccc12
InChIInChI=1S/C16H11F2NO/c17-14-7-3-6-12(15(14)18)16(20)13-9-19-8-10-4-1-2-5-11(10)13/h1-9,16,20H
InChIKeyZTPMELXCZMOOSN-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
CID 115797945
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 63939585
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
isoquinolin-4-yl-(3-methylphenyl)methanol
CID 63938792
isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
CID 105097605
(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 104504568
1-isoquinolin-4-yl-3-sulfanylpropane-1,2-diol
CID 170820099

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-isoquinolin-4-ylmethanol?
The IUPAC name of (2,3-difluorophenyl)-isoquinolin-4-ylmethanol (CID 63939378) is (2,3-difluorophenyl)-isoquinolin-4-ylmethanol.
What is the SMILES notation for (2,3-difluorophenyl)-isoquinolin-4-ylmethanol?
The canonical SMILES for (2,3-difluorophenyl)-isoquinolin-4-ylmethanol is OC(c1cccc(F)c1F)c1cncc2ccccc12.
What is the InChIKey of (2,3-difluorophenyl)-isoquinolin-4-ylmethanol?
The InChIKey is ZTPMELXCZMOOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c17-14-7-3-6-12(15(14)18)16(20)13-9-19-8-10-4-1-2-5-11(10)13/h1-9,16,20H.
What are the key properties of (2,3-difluorophenyl)-isoquinolin-4-ylmethanol?
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol has a molecular weight of 271.27 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-isoquinolin-4-ylmethanol is sourced from PubChem (CID 63939378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).