4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid

C15H13Cl2NO4 — CID 154631996

IUPAC4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCOC1(c2[nH]cc(-c3c(Cl)cccc3Cl)c2C(=O)O)COC1
InChIInChI=1S/C15H13Cl2NO4/c1-21-15(6-22-7-15)13-12(14(19)20)8(5-18-13)11-9(16)3-2-4-10(11)17/h2-5,18H,6-7H2,1H3,(H,19,20)
InChIKeyWYLNMTXVUKFICE-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.56
Rot. Bonds4

About 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid

4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 154631996) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID154631996
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCOC1(c2[nH]cc(-c3c(Cl)cccc3Cl)c2C(=O)O)COC1
InChIInChI=1S/C15H13Cl2NO4/c1-21-15(6-22-7-15)13-12(14(19)20)8(5-18-13)11-9(16)3-2-4-10(11)17/h2-5,18H,6-7H2,1H3,(H,19,20)
InChIKeyWYLNMTXVUKFICE-UHFFFAOYSA-N
XLogP3.56
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-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

3-(2,6-dichlorophenyl)-5-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid
CID 130307099
CID 11251659
CID 11251659
3-(2-chloro-6-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 104819089
2-chloro-6-(oxetan-3-yl)benzoic acid
CID 129080591
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
(1Z)-2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride;3-(2,6-dichlorophenyl)-5-(3-methoxyoxetan-3-yl)-1,2-oxazole-4-carboxylic acid;methyl 3-(2,6-dichlorophenyl)-5-(3-hydroxyoxetan-3-yl)-1,2-oxazole-4-carboxylate;methyl 3-(2,6-dichlorophenyl)-5-(3-methoxyoxetan-3-yl)-1,2-oxazole-4-carboxylate;methyl 3-(3-hydroxyoxetan-3-yl)prop-2-ynoate;oxetan-3-one
CID 172971962
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133092701
2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid
CID 118835567
2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzoic acid
CID 107393359
1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid
CID 175180047

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid (CID 154631996) is 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid is COC1(c2[nH]cc(-c3c(Cl)cccc3Cl)c2C(=O)O)COC1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is WYLNMTXVUKFICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-21-15(6-22-7-15)13-12(14(19)20)8(5-18-13)11-9(16)3-2-4-10(11)17/h2-5,18H,6-7H2,1H3,(H,19,20).
What are the key properties of 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid?
4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 342.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-2-(3-methoxyoxetan-3-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 154631996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).