5-isoquinolin-4-ylpyridine-2-carboxylic acid

C15H10N2O2 — CID 63938378

IUPAC5-isoquinolin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cncc3ccccc23)cn1
InChIInChI=1S/C15H10N2O2/c18-15(19)14-6-5-11(8-17-14)13-9-16-7-10-3-1-2-4-12(10)13/h1-9H,(H,18,19)
InChIKeyJZWZNYPOXFAMLN-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.99
Rot. Bonds2

About 5-isoquinolin-4-ylpyridine-2-carboxylic acid

5-isoquinolin-4-ylpyridine-2-carboxylic acid (PubChem CID 63938378) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-isoquinolin-4-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-isoquinolin-4-ylpyridine-2-carboxylic acid
PubChem CID63938378
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name5-isoquinolin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cncc3ccccc23)cn1
InChIInChI=1S/C15H10N2O2/c18-15(19)14-6-5-11(8-17-14)13-9-16-7-10-3-1-2-4-12(10)13/h1-9H,(H,18,19)
InChIKeyJZWZNYPOXFAMLN-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

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Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-4-ylpyridine-2-carboxylic acid?
The IUPAC name of 5-isoquinolin-4-ylpyridine-2-carboxylic acid (CID 63938378) is 5-isoquinolin-4-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-isoquinolin-4-ylpyridine-2-carboxylic acid?
The canonical SMILES for 5-isoquinolin-4-ylpyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cncc3ccccc23)cn1.
What is the InChIKey of 5-isoquinolin-4-ylpyridine-2-carboxylic acid?
The InChIKey is JZWZNYPOXFAMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15(19)14-6-5-11(8-17-14)13-9-16-7-10-3-1-2-4-12(10)13/h1-9H,(H,18,19).
What are the key properties of 5-isoquinolin-4-ylpyridine-2-carboxylic acid?
5-isoquinolin-4-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 5-isoquinolin-4-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 63938378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).