1-(2-chlorophenyl)pyrrole-3-carboxylic acid

C11H8ClNO2 — CID 933589

IUPAC1-(2-chlorophenyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2Cl)c1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-7H,(H,14,15)
InChIKeyMYARXUZIKGLGOD-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.83
Rot. Bonds2

About 1-(2-chlorophenyl)pyrrole-3-carboxylic acid

1-(2-chlorophenyl)pyrrole-3-carboxylic acid (PubChem CID 933589) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)pyrrole-3-carboxylic acid
PubChem CID933589
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name1-(2-chlorophenyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2Cl)c1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-7H,(H,14,15)
InChIKeyMYARXUZIKGLGOD-UHFFFAOYSA-N
XLogP2.83
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)phenyl]pyrrole-3-carboxylic acid
CID 174701224
1-(2-chlorophenyl)imidazole-4-carboxylic acid
CID 62058406
4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
CID 114603238
1-pyridin-4-ylpyrrole-3-carboxylic acid
CID 143301463
4-[1-(2-fluorophenyl)pyrrol-3-yl]benzoic acid
CID 58156697
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82131774
1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 82362681
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid
CID 83897346
benzoic acid;methanol
CID 67901482
benzoic acid;carbanide;zinc
CID 174738892
benzoic acid;zinc;hydrate
CID 70433930

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)pyrrole-3-carboxylic acid (CID 933589) is 1-(2-chlorophenyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)pyrrole-3-carboxylic acid is O=C(O)c1ccn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)pyrrole-3-carboxylic acid?
The InChIKey is MYARXUZIKGLGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-7H,(H,14,15).
What are the key properties of 1-(2-chlorophenyl)pyrrole-3-carboxylic acid?
1-(2-chlorophenyl)pyrrole-3-carboxylic acid has a molecular weight of 221.64 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 933589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).