isoquinoline-6-carboxylic acid;hydrochloride

C10H8ClNO2 — CID 70128606

IUPACisoquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2cnccc2c1
InChIInChI=1S/C10H7NO2.ClH/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8;/h1-6H,(H,12,13);1H
InChIKeyCZDOZRTZWAOGRG-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.35
Rot. Bonds1

About isoquinoline-6-carboxylic acid;hydrochloride

isoquinoline-6-carboxylic acid;hydrochloride (PubChem CID 70128606) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is isoquinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nameisoquinoline-6-carboxylic acid;hydrochloride
PubChem CID70128606
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Nameisoquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2cnccc2c1
InChIInChI=1S/C10H7NO2.ClH/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8;/h1-6H,(H,12,13);1H
InChIKeyCZDOZRTZWAOGRG-UHFFFAOYSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of isoquinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of isoquinoline-6-carboxylic acid;hydrochloride (CID 70128606) is isoquinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for isoquinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for isoquinoline-6-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2cnccc2c1.
What is the InChIKey of isoquinoline-6-carboxylic acid;hydrochloride?
The InChIKey is CZDOZRTZWAOGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.ClH/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8;/h1-6H,(H,12,13);1H.
What are the key properties of isoquinoline-6-carboxylic acid;hydrochloride?
isoquinoline-6-carboxylic acid;hydrochloride has a molecular weight of 209.63 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 70128606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).