7-aminoisoquinoline-3-carboxylic acid

C10H8N2O2 — CID 130056021

IUPAC7-aminoisoquinoline-3-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ncc2c1
InChIInChI=1S/C10H8N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,11H2,(H,13,14)
InChIKeyYXMDCPDTYXMFSN-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.52
Rot. Bonds1

About 7-aminoisoquinoline-3-carboxylic acid

7-aminoisoquinoline-3-carboxylic acid (PubChem CID 130056021) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 7-aminoisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-aminoisoquinoline-3-carboxylic acid
PubChem CID130056021
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name7-aminoisoquinoline-3-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ncc2c1
InChIInChI=1S/C10H8N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,11H2,(H,13,14)
InChIKeyYXMDCPDTYXMFSN-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-3-carboxylic acid;rhenium
CID 59015469
7-prop-2-ynoxyisoquinoline-3-carboxylic acid
CID 91044374
6-boronoisoquinoline-3-carboxylic acid
CID 122129745
4-aminopyridine-2-carboxylic acid;hydrate
CID 74892475
7-(4-tert-butylphenoxy)isoquinoline-3-carboxylic acid
CID 18457666
4-aminopyridine-2-carboxylic acid;ethane
CID 91192468
7-[3-(trifluoromethoxy)phenoxy]isoquinoline-3-carboxylic acid
CID 142757334
5-bromoisoquinoline-3-carboxylic acid
CID 75355525
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
4-amino-5-fluoropyridine-2-carboxylic acid
CID 121230968
7-methoxy-6-methylisoquinoline-3-carboxylic acid
CID 82393522
5-(5-aminopyridine-2-carbonyl)oxypyridine-2-carboxylic acid;hydrazine
CID 70377688

Frequently Asked Questions

What is the IUPAC name of 7-aminoisoquinoline-3-carboxylic acid?
The IUPAC name of 7-aminoisoquinoline-3-carboxylic acid (CID 130056021) is 7-aminoisoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-aminoisoquinoline-3-carboxylic acid?
The canonical SMILES for 7-aminoisoquinoline-3-carboxylic acid is Nc1ccc2cc(C(=O)O)ncc2c1.
What is the InChIKey of 7-aminoisoquinoline-3-carboxylic acid?
The InChIKey is YXMDCPDTYXMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,11H2,(H,13,14).
What are the key properties of 7-aminoisoquinoline-3-carboxylic acid?
7-aminoisoquinoline-3-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 7-aminoisoquinoline-3-carboxylic acid is sourced from PubChem (CID 130056021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).