6-chloroisoquinoline-5-carboxylic acid

C10H6ClNO2 — CID 82574726

IUPAC6-chloroisoquinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2cnccc12
InChIInChI=1S/C10H6ClNO2/c11-8-2-1-6-5-12-4-3-7(6)9(8)10(13)14/h1-5H,(H,13,14)
InChIKeyYGPJMPUFGOLAAG-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.59
Rot. Bonds1

About 6-chloroisoquinoline-5-carboxylic acid

6-chloroisoquinoline-5-carboxylic acid (PubChem CID 82574726) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 6-chloroisoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-chloroisoquinoline-5-carboxylic acid
PubChem CID82574726
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name6-chloroisoquinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2cnccc12
InChIInChI=1S/C10H6ClNO2/c11-8-2-1-6-5-12-4-3-7(6)9(8)10(13)14/h1-5H,(H,13,14)
InChIKeyYGPJMPUFGOLAAG-UHFFFAOYSA-N
XLogP2.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloroisoquinolin-5-ol
CID 115015519
6-methylisoquinoline-5-carbonyl chloride
CID 125452017
3-oxo-2H-2,7-naphthyridine-4-carboxylic acid
CID 83829417
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
3,8-phenanthroline
CID 13064691
6-chloro-5-nitroisoquinoline
CID 19027803
1-chloro-3-(5-chloroisoquinolin-6-yl)propan-2-one
CID 58367619
1-(6-bromoisoquinolin-5-yl)ethanone
CID 115046649
6-chloro-1-methylisoquinoline-5-carboxylic acid
CID 115033045
6-bromo-5-chloroisoquinoline
CID 58433034
3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
CID 43808588
6-methoxyisoquinoline-5-carboxamide
CID 82573912

Frequently Asked Questions

What is the IUPAC name of 6-chloroisoquinoline-5-carboxylic acid?
The IUPAC name of 6-chloroisoquinoline-5-carboxylic acid (CID 82574726) is 6-chloroisoquinoline-5-carboxylic acid.
What is the SMILES notation for 6-chloroisoquinoline-5-carboxylic acid?
The canonical SMILES for 6-chloroisoquinoline-5-carboxylic acid is O=C(O)c1c(Cl)ccc2cnccc12.
What is the InChIKey of 6-chloroisoquinoline-5-carboxylic acid?
The InChIKey is YGPJMPUFGOLAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-8-2-1-6-5-12-4-3-7(6)9(8)10(13)14/h1-5H,(H,13,14).
What are the key properties of 6-chloroisoquinoline-5-carboxylic acid?
6-chloroisoquinoline-5-carboxylic acid has a molecular weight of 207.62 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroisoquinoline-5-carboxylic acid is sourced from PubChem (CID 82574726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).