3-isoquinolin-5-ylpyridine-2-carboxylic acid

C15H10N2O2 — CID 107525025

IUPAC3-isoquinolin-5-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cccc2cnccc12
InChIInChI=1S/C15H10N2O2/c18-15(19)14-13(5-2-7-17-14)12-4-1-3-10-9-16-8-6-11(10)12/h1-9H,(H,18,19)
InChIKeyNPTUAVCXHAGSRS-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.99
Rot. Bonds2

About 3-isoquinolin-5-ylpyridine-2-carboxylic acid

3-isoquinolin-5-ylpyridine-2-carboxylic acid (PubChem CID 107525025) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-isoquinolin-5-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-isoquinolin-5-ylpyridine-2-carboxylic acid
PubChem CID107525025
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name3-isoquinolin-5-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cccc2cnccc12
InChIInChI=1S/C15H10N2O2/c18-15(19)14-13(5-2-7-17-14)12-4-1-3-10-9-16-8-6-11(10)12/h1-9H,(H,18,19)
InChIKeyNPTUAVCXHAGSRS-UHFFFAOYSA-N
XLogP2.99
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-isoquinolin-5-ylpyridine-2-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

3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid
CID 67796910
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
5-(2-methoxy-3-pyridinyl)isoquinoline
CID 102599406
2-isoquinolin-5-ylbenzamide
CID 39817654
2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid
CID 122563207
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
3-(4-methylnaphthalen-1-yl)pyridine-2-carboxylic acid
CID 107525274
2-fluoro-6-isoquinolin-5-ylbenzamide
CID 50962592
3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
2-fluoro-4-isoquinolin-5-ylbenzoic acid
CID 62811951
3-phenylpyridine-2-carboxylic acid
CID 2762789

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-ylpyridine-2-carboxylic acid?
The IUPAC name of 3-isoquinolin-5-ylpyridine-2-carboxylic acid (CID 107525025) is 3-isoquinolin-5-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-isoquinolin-5-ylpyridine-2-carboxylic acid?
The canonical SMILES for 3-isoquinolin-5-ylpyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1cccc2cnccc12.
What is the InChIKey of 3-isoquinolin-5-ylpyridine-2-carboxylic acid?
The InChIKey is NPTUAVCXHAGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15(19)14-13(5-2-7-17-14)12-4-1-3-10-9-16-8-6-11(10)12/h1-9H,(H,18,19).
What are the key properties of 3-isoquinolin-5-ylpyridine-2-carboxylic acid?
3-isoquinolin-5-ylpyridine-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 107525025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).