2,5-dichloro-4-isoquinolin-5-ylphenol

C15H9Cl2NO — CID 107663326

IUPAC2,5-dichloro-4-isoquinolin-5-ylphenol
SMILESOc1cc(Cl)c(-c2cccc3cnccc23)cc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-13-7-15(19)14(17)6-12(13)11-3-1-2-9-8-18-5-4-10(9)11/h1-8,19H
InChIKeyCXIGVELCNUHOQV-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.91
Rot. Bonds1

About 2,5-dichloro-4-isoquinolin-5-ylphenol

2,5-dichloro-4-isoquinolin-5-ylphenol (PubChem CID 107663326) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 2,5-dichloro-4-isoquinolin-5-ylphenol.

Molecular Properties

Compound Name2,5-dichloro-4-isoquinolin-5-ylphenol
PubChem CID107663326
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name2,5-dichloro-4-isoquinolin-5-ylphenol
SMILESOc1cc(Cl)c(-c2cccc3cnccc23)cc1Cl
InChIInChI=1S/C15H9Cl2NO/c16-13-7-15(19)14(17)6-12(13)11-3-1-2-9-8-18-5-4-10(9)11/h1-8,19H
InChIKeyCXIGVELCNUHOQV-UHFFFAOYSA-N
XLogP4.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)isoquinoline
CID 23602252
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
6-isoquinolin-5-ylpyridin-3-ol
CID 83128969
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
2-isoquinolin-5-ylaniline
CID 62812627
5-(6-chloro-2-cyclopropylpyrimidin-4-yl)isoquinoline
CID 80947514
5-pyrimidin-5-ylisoquinoline
CID 141337488
3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
2-isoquinolin-5-ylbenzamide
CID 39817654
6-chloroisoquinolin-5-ol
CID 115015519
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-isoquinolin-5-ylphenol?
The IUPAC name of 2,5-dichloro-4-isoquinolin-5-ylphenol (CID 107663326) is 2,5-dichloro-4-isoquinolin-5-ylphenol.
What is the SMILES notation for 2,5-dichloro-4-isoquinolin-5-ylphenol?
The canonical SMILES for 2,5-dichloro-4-isoquinolin-5-ylphenol is Oc1cc(Cl)c(-c2cccc3cnccc23)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-isoquinolin-5-ylphenol?
The InChIKey is CXIGVELCNUHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-13-7-15(19)14(17)6-12(13)11-3-1-2-9-8-18-5-4-10(9)11/h1-8,19H.
What are the key properties of 2,5-dichloro-4-isoquinolin-5-ylphenol?
2,5-dichloro-4-isoquinolin-5-ylphenol has a molecular weight of 290.15 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-isoquinolin-5-ylphenol is sourced from PubChem (CID 107663326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).