(3,4-difluorophenyl)-isoquinolin-5-ylmethanol

C16H11F2NO — CID 62813501

IUPAC(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccc(F)c(F)c1)c1cccc2cnccc12
InChIInChI=1S/C16H11F2NO/c17-14-5-4-10(8-15(14)18)16(20)13-3-1-2-11-9-19-7-6-12(11)13/h1-9,16,20H
InChIKeyFFYBPMZHCXZEPS-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.59
Rot. Bonds2

About (3,4-difluorophenyl)-isoquinolin-5-ylmethanol

(3,4-difluorophenyl)-isoquinolin-5-ylmethanol (PubChem CID 62813501) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is (3,4-difluorophenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
PubChem CID62813501
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccc(F)c(F)c1)c1cccc2cnccc12
InChIInChI=1S/C16H11F2NO/c17-14-5-4-10(8-15(14)18)16(20)13-3-1-2-11-9-19-7-6-12(11)13/h1-9,16,20H
InChIKeyFFYBPMZHCXZEPS-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

(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
CID 79972222
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (3,4-difluorophenyl)-isoquinolin-5-ylmethanol (CID 62813501) is (3,4-difluorophenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (3,4-difluorophenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (3,4-difluorophenyl)-isoquinolin-5-ylmethanol is OC(c1ccc(F)c(F)c1)c1cccc2cnccc12.
What is the InChIKey of (3,4-difluorophenyl)-isoquinolin-5-ylmethanol?
The InChIKey is FFYBPMZHCXZEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c17-14-5-4-10(8-15(14)18)16(20)13-3-1-2-11-9-19-7-6-12(11)13/h1-9,16,20H.
What are the key properties of (3,4-difluorophenyl)-isoquinolin-5-ylmethanol?
(3,4-difluorophenyl)-isoquinolin-5-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 (3,4-difluorophenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 62813501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).