(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol

C15H10Cl2N2O — CID 79780125

IUPAC(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ncc(Cl)cc1Cl)c1cccc2cnccc12
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-13(17)14(19-8-10)15(20)12-3-1-2-9-7-18-5-4-11(9)12/h1-8,15,20H
InChIKeyRRENXFHFWYTGEG-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.02
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol

(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol (PubChem CID 79780125) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol
PubChem CID79780125
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ncc(Cl)cc1Cl)c1cccc2cnccc12
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-13(17)14(19-8-10)15(20)12-3-1-2-9-7-18-5-4-11(9)12/h1-8,15,20H
InChIKeyRRENXFHFWYTGEG-UHFFFAOYSA-N
XLogP4.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(3,5-dichloro-2-pyridinyl)-quinolin-5-ylmethanol
CID 81220374
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol (CID 79780125) is (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol is OC(c1ncc(Cl)cc1Cl)c1cccc2cnccc12.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol?
The InChIKey is RRENXFHFWYTGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-6-13(17)14(19-8-10)15(20)12-3-1-2-9-7-18-5-4-11(9)12/h1-8,15,20H.
What are the key properties of (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol?
(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol has a molecular weight of 305.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 79780125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).