5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride

C10H10Cl3NO2 — CID 135392590

IUPAC5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(Cl)cc2c(c1Cl)CCNC2
InChIInChI=1S/C10H9Cl2NO2.ClH/c11-7-3-5-4-13-2-1-6(5)9(12)8(7)10(14)15;/h3,13H,1-2,4H2,(H,14,15);1H
InChIKeyCGXSFPJGZFRGNL-UHFFFAOYSA-N
MW282.55 g/mol
LogP2.76
Rot. Bonds1

About 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride

5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride (PubChem CID 135392590) has the molecular formula C10H10Cl3NO2 and a molecular weight of 282.55 g/mol. Its IUPAC name is 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride
PubChem CID135392590
Molecular FormulaC10H10Cl3NO2
Molecular Weight282.55 g/mol
Exact Mass280.98
IUPAC Name5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(Cl)cc2c(c1Cl)CCNC2
InChIInChI=1S/C10H9Cl2NO2.ClH/c11-7-3-5-4-13-2-1-6(5)9(12)8(7)10(14)15;/h3,13H,1-2,4H2,(H,14,15);1H
InChIKeyCGXSFPJGZFRGNL-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride (CID 135392590) is 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride is Cl.O=C(O)c1c(Cl)cc2c(c1Cl)CCNC2.
What is the InChIKey of 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride?
The InChIKey is CGXSFPJGZFRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2.ClH/c11-7-3-5-4-13-2-1-6(5)9(12)8(7)10(14)15;/h3,13H,1-2,4H2,(H,14,15);1H.
What are the key properties of 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride?
5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride has a molecular weight of 282.55 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 135392590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).