1,5-dichloroisoquinoline-4-carboxylic acid

C10H5Cl2NO2 — CID 84703045

IUPAC1,5-dichloroisoquinoline-4-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c2cccc(Cl)c12
InChIInChI=1S/C10H5Cl2NO2/c11-7-3-1-2-5-8(7)6(10(14)15)4-13-9(5)12/h1-4H,(H,14,15)
InChIKeyKGIGYRSTECNLOW-UHFFFAOYSA-N
MW242.06 g/mol
LogP3.24
Rot. Bonds1

About 1,5-dichloroisoquinoline-4-carboxylic acid

1,5-dichloroisoquinoline-4-carboxylic acid (PubChem CID 84703045) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 1,5-dichloroisoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1,5-dichloroisoquinoline-4-carboxylic acid
PubChem CID84703045
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name1,5-dichloroisoquinoline-4-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c2cccc(Cl)c12
InChIInChI=1S/C10H5Cl2NO2/c11-7-3-1-2-5-8(7)6(10(14)15)4-13-9(5)12/h1-4H,(H,14,15)
InChIKeyKGIGYRSTECNLOW-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1,5-dichloroisoquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloronaphthalene-1-carboxylic acid
CID 56990997
8-chloro-5-hydroxynaphthalene-1-carboxylic acid
CID 139711349
1-chloroisoquinoline-5-carboxylic acid
CID 21192483
8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732450
1-(1-chloroisoquinolin-4-yl)ethanone
CID 53402377
1,5-dichloro-4-ethoxyisoquinoline
CID 86683274
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
1,4-dichloro-5-fluoroisoquinoline
CID 84681499
5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid
CID 84684367
8-chloro-5-nitronaphthalene-1-carboxylic acid
CID 131851989
4-chloro-1,8-naphthyridine-3-carboxylic acid
CID 84676405
1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582061

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloroisoquinoline-4-carboxylic acid?
The IUPAC name of 1,5-dichloroisoquinoline-4-carboxylic acid (CID 84703045) is 1,5-dichloroisoquinoline-4-carboxylic acid.
What is the SMILES notation for 1,5-dichloroisoquinoline-4-carboxylic acid?
The canonical SMILES for 1,5-dichloroisoquinoline-4-carboxylic acid is O=C(O)c1cnc(Cl)c2cccc(Cl)c12.
What is the InChIKey of 1,5-dichloroisoquinoline-4-carboxylic acid?
The InChIKey is KGIGYRSTECNLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-7-3-1-2-5-8(7)6(10(14)15)4-13-9(5)12/h1-4H,(H,14,15).
What are the key properties of 1,5-dichloroisoquinoline-4-carboxylic acid?
1,5-dichloroisoquinoline-4-carboxylic acid has a molecular weight of 242.06 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloroisoquinoline-4-carboxylic acid is sourced from PubChem (CID 84703045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).