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

C15H10N2O2 — CID 56828979

IUPAC5-isoquinolin-5-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc3cnccc23)c1
InChIInChI=1S/C15H10N2O2/c18-15(19)12-6-11(8-17-9-12)13-3-1-2-10-7-16-5-4-14(10)13/h1-9H,(H,18,19)
InChIKeyAESFZYGVQMPXCM-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.99
Rot. Bonds2

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

5-isoquinolin-5-ylpyridine-3-carboxylic acid (PubChem CID 56828979) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-isoquinolin-5-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-isoquinolin-5-ylpyridine-3-carboxylic acid
PubChem CID56828979
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name5-isoquinolin-5-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc3cnccc23)c1
InChIInChI=1S/C15H10N2O2/c18-15(19)12-6-11(8-17-9-12)13-3-1-2-10-7-16-5-4-14(10)13/h1-9H,(H,18,19)
InChIKeyAESFZYGVQMPXCM-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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Related Compounds

3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
2-fluoro-4-isoquinolin-5-ylbenzoic acid
CID 62811951
5-pyrimidin-5-ylisoquinoline
CID 141337488
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
4-(isoquinolin-5-ylamino)benzoic acid
CID 62232370
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide
CID 50975662
5-(2-ethylphenyl)pyridine-3-carboxylic acid
CID 56715011
5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53222723
5-(2-cyanophenyl)pyridine-3-carboxylic acid
CID 50999377

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-5-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-isoquinolin-5-ylpyridine-3-carboxylic acid (CID 56828979) is 5-isoquinolin-5-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-isoquinolin-5-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-isoquinolin-5-ylpyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cccc3cnccc23)c1.
What is the InChIKey of 5-isoquinolin-5-ylpyridine-3-carboxylic acid?
The InChIKey is AESFZYGVQMPXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15(19)12-6-11(8-17-9-12)13-3-1-2-10-7-16-5-4-14(10)13/h1-9H,(H,18,19).
What are the key properties of 5-isoquinolin-5-ylpyridine-3-carboxylic acid?
5-isoquinolin-5-ylpyridine-3-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-5-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 56828979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).