2-(4-chlorophenyl)indolizine-1-carboxylic acid

C15H10ClNO2 — CID 1491132

IUPAC2-(4-chlorophenyl)indolizine-1-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(Cl)cc2)cn2ccccc12
InChIInChI=1S/C15H10ClNO2/c16-11-6-4-10(5-7-11)12-9-17-8-2-1-3-13(17)14(12)15(18)19/h1-9H,(H,18,19)
InChIKeyJJZKBDIEKNWMME-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-chlorophenyl)indolizine-1-carboxylic acid

2-(4-chlorophenyl)indolizine-1-carboxylic acid (PubChem CID 1491132) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)indolizine-1-carboxylic acid
PubChem CID1491132
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name2-(4-chlorophenyl)indolizine-1-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(Cl)cc2)cn2ccccc12
InChIInChI=1S/C15H10ClNO2/c16-11-6-4-10(5-7-11)12-9-17-8-2-1-3-13(17)14(12)15(18)19/h1-9H,(H,18,19)
InChIKeyJJZKBDIEKNWMME-UHFFFAOYSA-N
XLogP3.96
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)indolizine-1-carboxylic acid (CID 1491132) is 2-(4-chlorophenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)indolizine-1-carboxylic acid is O=C(O)c1c(-c2ccc(Cl)cc2)cn2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)indolizine-1-carboxylic acid?
The InChIKey is JJZKBDIEKNWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-11-6-4-10(5-7-11)12-9-17-8-2-1-3-13(17)14(12)15(18)19/h1-9H,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)indolizine-1-carboxylic acid?
2-(4-chlorophenyl)indolizine-1-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 1491132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).