7-iodoisoquinolin-4-ol

C9H6INO — CID 151672694

IUPAC7-iodoisoquinolin-4-ol
SMILESOc1cncc2cc(I)ccc12
InChIInChI=1S/C9H6INO/c10-7-1-2-8-6(3-7)4-11-5-9(8)12/h1-5,12H
InChIKeyQYWSWFIXVILIJV-UHFFFAOYSA-N
MW271.06 g/mol
LogP2.55
Rot. Bonds

About 7-iodoisoquinolin-4-ol

7-iodoisoquinolin-4-ol (PubChem CID 151672694) has the molecular formula C9H6INO and a molecular weight of 271.06 g/mol. Its IUPAC name is 7-iodoisoquinolin-4-ol.

Molecular Properties

Compound Name7-iodoisoquinolin-4-ol
PubChem CID151672694
Molecular FormulaC9H6INO
Molecular Weight271.06 g/mol
Exact Mass270.95
IUPAC Name7-iodoisoquinolin-4-ol
SMILESOc1cncc2cc(I)ccc12
InChIInChI=1S/C9H6INO/c10-7-1-2-8-6(3-7)4-11-5-9(8)12/h1-5,12H
InChIKeyQYWSWFIXVILIJV-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-pyridin-4-ylsulfanylisoquinolin-4-ol
CID 174742198
hydron;isoquinolin-4-ol
CID 174960329
7-pentan-3-yloxyisoquinolin-4-ol
CID 150996288
formic acid;7-phenoxyisoquinolin-4-ol
CID 175369132
actinium;2,5-diiodophenol
CID 59887168
3-bromo-1-(3-bromo-2-hydroxy-6-iodonaphthalen-1-yl)-6-iodonaphthalen-2-ol
CID 101493673
1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
7-iodo-1H-pyrazolo[4,3-c]isoquinoline
CID 154034333
7-iodonaphthalene-1,3-diol
CID 176890151
6-iodo-1-benzofuran-3-ol
CID 123196484
7-iodo-2-methylquinolin-5-ol
CID 135553020
6-(4-aminophenoxy)isoquinolin-4-ol
CID 174742458

Frequently Asked Questions

What is the IUPAC name of 7-iodoisoquinolin-4-ol?
The IUPAC name of 7-iodoisoquinolin-4-ol (CID 151672694) is 7-iodoisoquinolin-4-ol.
What is the SMILES notation for 7-iodoisoquinolin-4-ol?
The canonical SMILES for 7-iodoisoquinolin-4-ol is Oc1cncc2cc(I)ccc12.
What is the InChIKey of 7-iodoisoquinolin-4-ol?
The InChIKey is QYWSWFIXVILIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO/c10-7-1-2-8-6(3-7)4-11-5-9(8)12/h1-5,12H.
What are the key properties of 7-iodoisoquinolin-4-ol?
7-iodoisoquinolin-4-ol has a molecular weight of 271.06 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodoisoquinolin-4-ol is sourced from PubChem (CID 151672694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).