7-pyridin-4-ylsulfanylisoquinolin-4-ol

C14H10N2OS — CID 174742198

IUPAC7-pyridin-4-ylsulfanylisoquinolin-4-ol
SMILESOc1cncc2cc(Sc3ccncc3)ccc12
InChIInChI=1S/C14H10N2OS/c17-14-9-16-8-10-7-12(1-2-13(10)14)18-11-3-5-15-6-4-11/h1-9,17H
InChIKeyUIMXPWOMEUBCPM-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.49
Rot. Bonds2

About 7-pyridin-4-ylsulfanylisoquinolin-4-ol

7-pyridin-4-ylsulfanylisoquinolin-4-ol (PubChem CID 174742198) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 7-pyridin-4-ylsulfanylisoquinolin-4-ol.

Molecular Properties

Compound Name7-pyridin-4-ylsulfanylisoquinolin-4-ol
PubChem CID174742198
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name7-pyridin-4-ylsulfanylisoquinolin-4-ol
SMILESOc1cncc2cc(Sc3ccncc3)ccc12
InChIInChI=1S/C14H10N2OS/c17-14-9-16-8-10-7-12(1-2-13(10)14)18-11-3-5-15-6-4-11/h1-9,17H
InChIKeyUIMXPWOMEUBCPM-UHFFFAOYSA-N
XLogP3.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-4-ylsulfanylphenol
CID 15080669
7-iodoisoquinolin-4-ol
CID 151672694
2-nitro-5-pyridin-4-ylsulfanylphenol
CID 137484908
hydron;isoquinolin-4-ol
CID 174960329
6-pyridin-4-ylnaphthalen-1-ol
CID 53321857
2-methyl-5-[(7-pyridin-4-ylsulfanylquinazolin-4-yl)amino]phenol;hydrochloride
CID 67669427
4-hydroxy-7-phenylsulfanylisoquinoline-1-carbonitrile
CID 141275216
formic acid;7-phenoxyisoquinolin-4-ol
CID 175369132
4-[2-nitro-4-(3-nitro-4-pyridin-4-ylsulfanylphenyl)sulfanylphenyl]sulfanylpyridine
CID 145339218
(4-acetyloxy-2,3-dihexoxy-6-pyridin-4-ylsulfanylnaphthalen-1-yl) acetate
CID 23319815
2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 80890422
2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline
CID 47092307

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-ylsulfanylisoquinolin-4-ol?
The IUPAC name of 7-pyridin-4-ylsulfanylisoquinolin-4-ol (CID 174742198) is 7-pyridin-4-ylsulfanylisoquinolin-4-ol.
What is the SMILES notation for 7-pyridin-4-ylsulfanylisoquinolin-4-ol?
The canonical SMILES for 7-pyridin-4-ylsulfanylisoquinolin-4-ol is Oc1cncc2cc(Sc3ccncc3)ccc12.
What is the InChIKey of 7-pyridin-4-ylsulfanylisoquinolin-4-ol?
The InChIKey is UIMXPWOMEUBCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-14-9-16-8-10-7-12(1-2-13(10)14)18-11-3-5-15-6-4-11/h1-9,17H.
What are the key properties of 7-pyridin-4-ylsulfanylisoquinolin-4-ol?
7-pyridin-4-ylsulfanylisoquinolin-4-ol has a molecular weight of 254.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-ylsulfanylisoquinolin-4-ol is sourced from PubChem (CID 174742198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).