2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid

C20H17ClN2O3 — CID 141367656

IUPAC2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
SMILESO=Cc1c[nH]c2cc(Cl)c(-c3ccc(C4CCCN4C(=O)O)cc3)cc12
InChIInChI=1S/C20H17ClN2O3/c21-17-9-18-16(14(11-24)10-22-18)8-15(17)12-3-5-13(6-4-12)19-2-1-7-23(19)20(25)26/h3-6,8-11,19,22H,1-2,7H2,(H,25,26)
InChIKeyBXUJDIZWGNBBSN-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.12
Rot. Bonds3

About 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid

2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid (PubChem CID 141367656) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
PubChem CID141367656
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
SMILESO=Cc1c[nH]c2cc(Cl)c(-c3ccc(C4CCCN4C(=O)O)cc3)cc12
InChIInChI=1S/C20H17ClN2O3/c21-17-9-18-16(14(11-24)10-22-18)8-15(17)12-3-5-13(6-4-12)19-2-1-7-23(19)20(25)26/h3-6,8-11,19,22H,1-2,7H2,(H,25,26)
InChIKeyBXUJDIZWGNBBSN-UHFFFAOYSA-N
XLogP5.12
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde
CID 141367669
1-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]cyclobutane-1-carboxylic acid
CID 86698747
1-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 86698769
6-chloro-5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 86698689
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
2-(5-chloro-2-formylphenyl)azepane-1-carboxylic acid
CID 174237527
(E)-4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 60948473
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
CID 166721441
3-(3-formyl-1H-indol-5-yl)benzoic acid
CID 4186391
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid (CID 141367656) is 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid is O=Cc1c[nH]c2cc(Cl)c(-c3ccc(C4CCCN4C(=O)O)cc3)cc12.
What is the InChIKey of 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid?
The InChIKey is BXUJDIZWGNBBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-17-9-18-16(14(11-24)10-22-18)8-15(17)12-3-5-13(6-4-12)19-2-1-7-23(19)20(25)26/h3-6,8-11,19,22H,1-2,7H2,(H,25,26).
What are the key properties of 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid?
2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid has a molecular weight of 368.82 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141367656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).