6-chloroisoquinoline-8-carbaldehyde

C10H6ClNO — CID 164912789

IUPAC6-chloroisoquinoline-8-carbaldehyde
SMILESO=Cc1cc(Cl)cc2ccncc12
InChIInChI=1S/C10H6ClNO/c11-9-3-7-1-2-12-5-10(7)8(4-9)6-13/h1-6H
InChIKeyIOIDOYYOTHFOCE-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.70
Rot. Bonds1

About 6-chloroisoquinoline-8-carbaldehyde

6-chloroisoquinoline-8-carbaldehyde (PubChem CID 164912789) has the molecular formula C10H6ClNO and a molecular weight of 191.62 g/mol. Its IUPAC name is 6-chloroisoquinoline-8-carbaldehyde.

Molecular Properties

Compound Name6-chloroisoquinoline-8-carbaldehyde
PubChem CID164912789
Molecular FormulaC10H6ClNO
Molecular Weight191.62 g/mol
Exact Mass191.01
IUPAC Name6-chloroisoquinoline-8-carbaldehyde
SMILESO=Cc1cc(Cl)cc2ccncc12
InChIInChI=1S/C10H6ClNO/c11-9-3-7-1-2-12-5-10(7)8(4-9)6-13/h1-6H
InChIKeyIOIDOYYOTHFOCE-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-nitroisoquinoline-8-carbaldehyde
CID 118586845
3-chloronaphthalene-1-carbaldehyde
CID 18673614
3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 169447859
3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
CID 169447869
4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134627378
6-chloro-2-methylquinoline-8-carbaldehyde
CID 82573777
2,9-phenanthroline
CID 23271029
ethyl (E)-3-(7-chloroisoquinolin-5-yl)prop-2-enoate
CID 82579891
4-chloropyridine;formyl chloride;hydrochloride
CID 172711857
6,8-dimethylisoquinoline;ethane
CID 143881412
2-acetyl-6-chloroisoindole-4-carbaldehyde
CID 175819837
3-(6-chloroisoquinolin-8-yl)morpholine
CID 164913113

Frequently Asked Questions

What is the IUPAC name of 6-chloroisoquinoline-8-carbaldehyde?
The IUPAC name of 6-chloroisoquinoline-8-carbaldehyde (CID 164912789) is 6-chloroisoquinoline-8-carbaldehyde.
What is the SMILES notation for 6-chloroisoquinoline-8-carbaldehyde?
The canonical SMILES for 6-chloroisoquinoline-8-carbaldehyde is O=Cc1cc(Cl)cc2ccncc12.
What is the InChIKey of 6-chloroisoquinoline-8-carbaldehyde?
The InChIKey is IOIDOYYOTHFOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO/c11-9-3-7-1-2-12-5-10(7)8(4-9)6-13/h1-6H.
What are the key properties of 6-chloroisoquinoline-8-carbaldehyde?
6-chloroisoquinoline-8-carbaldehyde has a molecular weight of 191.62 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroisoquinoline-8-carbaldehyde is sourced from PubChem (CID 164912789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).