8-aminoisoquinoline-6-carboxylic acid

C10H8N2O2 — CID 84661389

IUPAC8-aminoisoquinoline-6-carboxylic acid
SMILESNc1cc(C(=O)O)cc2ccncc12
InChIInChI=1S/C10H8N2O2/c11-9-4-7(10(13)14)3-6-1-2-12-5-8(6)9/h1-5H,11H2,(H,13,14)
InChIKeyCIKQCSNPRSWWKM-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.52
Rot. Bonds1

About 8-aminoisoquinoline-6-carboxylic acid

8-aminoisoquinoline-6-carboxylic acid (PubChem CID 84661389) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 8-aminoisoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-aminoisoquinoline-6-carboxylic acid
PubChem CID84661389
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name8-aminoisoquinoline-6-carboxylic acid
SMILESNc1cc(C(=O)O)cc2ccncc12
InChIInChI=1S/C10H8N2O2/c11-9-4-7(10(13)14)3-6-1-2-12-5-8(6)9/h1-5H,11H2,(H,13,14)
InChIKeyCIKQCSNPRSWWKM-UHFFFAOYSA-N
XLogP1.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

isoquinoline-7-carboxylic acid
CID 18468721
6-bromoisoquinolin-8-amine
CID 155895327
4-(5-aminoisoquinolin-8-yl)benzoic acid
CID 82583234
3-amino-4-(isoquinolin-5-ylamino)benzoic acid
CID 60989394
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
isoquinoline-6-carboxamide;hydrochloride
CID 143697890
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
2-amino-4-(isoquinolin-8-ylamino)benzoic acid
CID 104500796
3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445608
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine
CID 170331623

Frequently Asked Questions

What is the IUPAC name of 8-aminoisoquinoline-6-carboxylic acid?
The IUPAC name of 8-aminoisoquinoline-6-carboxylic acid (CID 84661389) is 8-aminoisoquinoline-6-carboxylic acid.
What is the SMILES notation for 8-aminoisoquinoline-6-carboxylic acid?
The canonical SMILES for 8-aminoisoquinoline-6-carboxylic acid is Nc1cc(C(=O)O)cc2ccncc12.
What is the InChIKey of 8-aminoisoquinoline-6-carboxylic acid?
The InChIKey is CIKQCSNPRSWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-9-4-7(10(13)14)3-6-1-2-12-5-8(6)9/h1-5H,11H2,(H,13,14).
What are the key properties of 8-aminoisoquinoline-6-carboxylic acid?
8-aminoisoquinoline-6-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoisoquinoline-6-carboxylic acid is sourced from PubChem (CID 84661389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).