(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol

C14H10INOS — CID 103139479

IUPAC(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
SMILESOC(c1csc(I)c1)c1cccc2ccncc12
InChIInChI=1S/C14H10INOS/c15-13-6-10(8-18-13)14(17)11-3-1-2-9-4-5-16-7-12(9)11/h1-8,14,17H
InChIKeyVAXWTIRCCSWQEW-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.98
Rot. Bonds2

About (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol

(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol (PubChem CID 103139479) has the molecular formula C14H10INOS and a molecular weight of 367.21 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
PubChem CID103139479
Molecular FormulaC14H10INOS
Molecular Weight367.21 g/mol
Exact Mass366.95
IUPAC Name(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
SMILESOC(c1csc(I)c1)c1cccc2ccncc12
InChIInChI=1S/C14H10INOS/c15-13-6-10(8-18-13)14(17)11-3-1-2-9-4-5-16-7-12(9)11/h1-8,14,17H
InChIKeyVAXWTIRCCSWQEW-UHFFFAOYSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
N-[(5-iodothiophen-3-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115853076
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
CID 106694109
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol?
The IUPAC name of (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol (CID 103139479) is (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol is OC(c1csc(I)c1)c1cccc2ccncc12.
What is the InChIKey of (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol?
The InChIKey is VAXWTIRCCSWQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INOS/c15-13-6-10(8-18-13)14(17)11-3-1-2-9-4-5-16-7-12(9)11/h1-8,14,17H.
What are the key properties of (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol?
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol has a molecular weight of 367.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103139479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).