indeno[1,2-b]pyridine-4a-carboxylic acid

C13H9NO2 — CID 154289360

IUPACindeno[1,2-b]pyridine-4a-carboxylic acid
SMILESO=C(O)C12C=CC=NC1=c1ccccc1=C2
InChIInChI=1S/C13H9NO2/c15-12(16)13-6-3-7-14-11(13)10-5-2-1-4-9(10)8-13/h1-8H,(H,15,16)
InChIKeyLOLINFVYKHTDLW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.30
Rot. Bonds1

About indeno[1,2-b]pyridine-4a-carboxylic acid

indeno[1,2-b]pyridine-4a-carboxylic acid (PubChem CID 154289360) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is indeno[1,2-b]pyridine-4a-carboxylic acid.

Molecular Properties

Compound Nameindeno[1,2-b]pyridine-4a-carboxylic acid
PubChem CID154289360
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Nameindeno[1,2-b]pyridine-4a-carboxylic acid
SMILESO=C(O)C12C=CC=NC1=c1ccccc1=C2
InChIInChI=1S/C13H9NO2/c15-12(16)13-6-3-7-14-11(13)10-5-2-1-4-9(10)8-13/h1-8H,(H,15,16)
InChIKeyLOLINFVYKHTDLW-UHFFFAOYSA-N
XLogP0.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of indeno[1,2-b]pyridine-4a-carboxylic acid?
The IUPAC name of indeno[1,2-b]pyridine-4a-carboxylic acid (CID 154289360) is indeno[1,2-b]pyridine-4a-carboxylic acid.
What is the SMILES notation for indeno[1,2-b]pyridine-4a-carboxylic acid?
The canonical SMILES for indeno[1,2-b]pyridine-4a-carboxylic acid is O=C(O)C12C=CC=NC1=c1ccccc1=C2.
What is the InChIKey of indeno[1,2-b]pyridine-4a-carboxylic acid?
The InChIKey is LOLINFVYKHTDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-12(16)13-6-3-7-14-11(13)10-5-2-1-4-9(10)8-13/h1-8H,(H,15,16).
What are the key properties of indeno[1,2-b]pyridine-4a-carboxylic acid?
indeno[1,2-b]pyridine-4a-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indeno[1,2-b]pyridine-4a-carboxylic acid is sourced from PubChem (CID 154289360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).