5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid

C14H13Cl2NO2 — CID 43671868

IUPAC5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-2-8-17-11(6-7-12(17)14(18)19)9-4-3-5-10(15)13(9)16/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyQPIDBDZCEICIMK-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.57
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid

5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid (PubChem CID 43671868) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid
PubChem CID43671868
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-2-8-17-11(6-7-12(17)14(18)19)9-4-3-5-10(15)13(9)16/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyQPIDBDZCEICIMK-UHFFFAOYSA-N
XLogP4.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671767
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
5-(2-bromo-3-chlorophenyl)-1-methylpyrrole-2-carboxylic acid
CID 103481210
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 43671806
5-(2-bromo-5-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 81275513
acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
CID 174506866
5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3854716
1-(2-hydroxyethyl)-5-phenylpyrrole-2-carboxylic acid
CID 82082001
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
2-[[5-(3-chloro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107097508
5-(4-bromo-3-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 107615544

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid (CID 43671868) is 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid is CCCn1c(C(=O)O)ccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid?
The InChIKey is QPIDBDZCEICIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-2-8-17-11(6-7-12(17)14(18)19)9-4-3-5-10(15)13(9)16/h3-7H,2,8H2,1H3,(H,18,19).
What are the key properties of 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid?
5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid has a molecular weight of 298.17 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).