5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid

C14H10N2O3 — CID 22135397

IUPAC5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid
SMILESO=C1Cc2c(cccc2-c2cncc(C(=O)O)c2)N1
InChIInChI=1S/C14H10N2O3/c17-13-5-11-10(2-1-3-12(11)16-13)8-4-9(14(18)19)7-15-6-8/h1-4,6-7H,5H2,(H,16,17)(H,18,19)
InChIKeyONLZJAXHNQWSTQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.94
Rot. Bonds2

About 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid

5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid (PubChem CID 22135397) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid
PubChem CID22135397
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid
SMILESO=C1Cc2c(cccc2-c2cncc(C(=O)O)c2)N1
InChIInChI=1S/C14H10N2O3/c17-13-5-11-10(2-1-3-12(11)16-13)8-4-9(14(18)19)7-15-6-8/h1-4,6-7H,5H2,(H,16,17)(H,18,19)
InChIKeyONLZJAXHNQWSTQ-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid (CID 22135397) is 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid is O=C1Cc2c(cccc2-c2cncc(C(=O)O)c2)N1.
What is the InChIKey of 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid?
The InChIKey is ONLZJAXHNQWSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-5-11-10(2-1-3-12(11)16-13)8-4-9(14(18)19)7-15-6-8/h1-4,6-7H,5H2,(H,16,17)(H,18,19).
What are the key properties of 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid?
5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 22135397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).