2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid

C14H10Cl2N2O2 — CID 69021835

IUPAC2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C#N)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl2N2O2/c1-8(14(19)20)18-6-9(5-17)11(7-18)10-3-2-4-12(15)13(10)16/h2-4,6-8H,1H3,(H,19,20)
InChIKeyIVXFHOHNKQSQFF-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.98
Rot. Bonds3

About 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid

2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid (PubChem CID 69021835) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid
PubChem CID69021835
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C#N)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl2N2O2/c1-8(14(19)20)18-6-9(5-17)11(7-18)10-3-2-4-12(15)13(10)16/h2-4,6-8H,1H3,(H,19,20)
InChIKeyIVXFHOHNKQSQFF-UHFFFAOYSA-N
XLogP3.98
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic 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

acetic acid;2,3-dichlorobenzonitrile
CID 175302579
(2S)-4-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,3-dimethylpentanoic acid
CID 172830689
2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid
CID 67459388
4-(2,3-dichlorophenyl)-1-[[furan-2-ylmethyl(methyl)amino]methyl]pyrrole-3-carbonitrile
CID 14326281
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
2-[4-(3-chloro-4-cyanophenyl)piperazin-1-yl]propanoic acid
CID 62945990
2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502901
(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
CID 130701472
calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
CID 174904130
2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid
CID 53227197
(2,3-dichlorophenyl) 2-cyano-3-oxobutanoate
CID 57095461

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid?
The IUPAC name of 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid (CID 69021835) is 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C#N)c(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid?
The InChIKey is IVXFHOHNKQSQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c1-8(14(19)20)18-6-9(5-17)11(7-18)10-3-2-4-12(15)13(10)16/h2-4,6-8H,1H3,(H,19,20).
What are the key properties of 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid?
2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid has a molecular weight of 309.15 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(2,3-dichlorophenyl)pyrrol-1-yl]propanoic acid is sourced from PubChem (CID 69021835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).