(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol

C14H9Cl2NOS — CID 107969985

IUPAC(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
SMILESOC(c1cc(Cl)sc1Cl)c1cccc2ccncc12
InChIInChI=1S/C14H9Cl2NOS/c15-12-6-10(14(16)19-12)13(18)9-3-1-2-8-4-5-17-7-11(8)9/h1-7,13,18H
InChIKeyBOYRDQTYIHAJJW-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.68
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol

(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol (PubChem CID 107969985) has the molecular formula C14H9Cl2NOS and a molecular weight of 310.21 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
PubChem CID107969985
Molecular FormulaC14H9Cl2NOS
Molecular Weight310.21 g/mol
Exact Mass308.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
SMILESOC(c1cc(Cl)sc1Cl)c1cccc2ccncc12
InChIInChI=1S/C14H9Cl2NOS/c15-12-6-10(14(16)19-12)13(18)9-3-1-2-8-4-5-17-7-11(8)9/h1-7,13,18H
InChIKeyBOYRDQTYIHAJJW-UHFFFAOYSA-N
XLogP4.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
CID 106694109
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107968230
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol
CID 103143008

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol (CID 107969985) is (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol is OC(c1cc(Cl)sc1Cl)c1cccc2ccncc12.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol?
The InChIKey is BOYRDQTYIHAJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NOS/c15-12-6-10(14(16)19-12)13(18)9-3-1-2-8-4-5-17-7-11(8)9/h1-7,13,18H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol?
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol has a molecular weight of 310.21 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 107969985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).