isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol

C16H10F3NO — CID 103139324

IUPACisoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1cccc2ccncc12
InChIInChI=1S/C16H10F3NO/c17-13-6-10(7-14(18)15(13)19)16(21)11-3-1-2-9-4-5-20-8-12(9)11/h1-8,16,21H
InChIKeyMGLDACBYZSQKDI-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.73
Rot. Bonds2

About isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol

isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol (PubChem CID 103139324) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Nameisoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
PubChem CID103139324
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Nameisoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1cccc2ccncc12
InChIInChI=1S/C16H10F3NO/c17-13-6-10(7-14(18)15(13)19)16(21)11-3-1-2-9-4-5-20-8-12(9)11/h1-8,16,21H
InChIKeyMGLDACBYZSQKDI-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol (CID 103139324) is isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol is OC(c1cc(F)c(F)c(F)c1)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol?
The InChIKey is MGLDACBYZSQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-13-6-10(7-14(18)15(13)19)16(21)11-3-1-2-9-4-5-20-8-12(9)11/h1-8,16,21H.
What are the key properties of isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol?
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol has a molecular weight of 289.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 103139324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).