8-chloroindolizine-2-carboxylic acid

C9H6ClNO2 — CID 130046727

IUPAC8-chloroindolizine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cccn2c1
InChIInChI=1S/C9H6ClNO2/c10-7-2-1-3-11-5-6(9(12)13)4-8(7)11/h1-5H,(H,12,13)
InChIKeyAYNHSPFBVUZHEF-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.29
Rot. Bonds1

About 8-chloroindolizine-2-carboxylic acid

8-chloroindolizine-2-carboxylic acid (PubChem CID 130046727) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 8-chloroindolizine-2-carboxylic acid.

Molecular Properties

Compound Name8-chloroindolizine-2-carboxylic acid
PubChem CID130046727
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name8-chloroindolizine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cccn2c1
InChIInChI=1S/C9H6ClNO2/c10-7-2-1-3-11-5-6(9(12)13)4-8(7)11/h1-5H,(H,12,13)
InChIKeyAYNHSPFBVUZHEF-UHFFFAOYSA-N
XLogP2.29
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloroindolizine-2-carboxylic acid?
The IUPAC name of 8-chloroindolizine-2-carboxylic acid (CID 130046727) is 8-chloroindolizine-2-carboxylic acid.
What is the SMILES notation for 8-chloroindolizine-2-carboxylic acid?
The canonical SMILES for 8-chloroindolizine-2-carboxylic acid is O=C(O)c1cc2c(Cl)cccn2c1.
What is the InChIKey of 8-chloroindolizine-2-carboxylic acid?
The InChIKey is AYNHSPFBVUZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-2-1-3-11-5-6(9(12)13)4-8(7)11/h1-5H,(H,12,13).
What are the key properties of 8-chloroindolizine-2-carboxylic acid?
8-chloroindolizine-2-carboxylic acid has a molecular weight of 195.61 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroindolizine-2-carboxylic acid is sourced from PubChem (CID 130046727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).