4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid

C11H6Cl2FNO2 — CID 107370137

IUPAC4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H6Cl2FNO2/c12-6-1-8(14)4-9(2-6)15-5-7(13)3-10(15)11(16)17/h1-5H,(H,16,17)
InChIKeyYSIGNPFABOZCOS-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.62
Rot. Bonds2

About 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid

4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid (PubChem CID 107370137) has the molecular formula C11H6Cl2FNO2 and a molecular weight of 274.08 g/mol. Its IUPAC name is 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid
PubChem CID107370137
Molecular FormulaC11H6Cl2FNO2
Molecular Weight274.08 g/mol
Exact Mass272.98
IUPAC Name4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H6Cl2FNO2/c12-6-1-8(14)4-9(2-6)15-5-7(13)3-10(15)11(16)17/h1-5H,(H,16,17)
InChIKeyYSIGNPFABOZCOS-UHFFFAOYSA-N
XLogP3.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylphenyl)-4-chloropyrrole-2-carboxylic acid
CID 107577317
4-chloro-1-(1-methylpyrazol-4-yl)pyrrole-2-carboxylic acid
CID 114605979
3-(3-chloro-5-fluorophenyl)triazole-4-carboxylic acid
CID 107370229
4-chloro-1-(3,4-dimethylphenyl)pyrrole-2-carboxylic acid
CID 114603225
4-chloro-1-(5-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 114603586
1-(3-bromo-4-chlorophenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606015
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxylic acid
CID 114603671
4-chloro-1-(2-fluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603655
1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
CID 107368788
4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
CID 114603238
1-(4-bromo-3-methoxyphenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606378
4-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrole-2-carboxylic acid
CID 114603577

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid (CID 107370137) is 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Cl)cn1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid?
The InChIKey is YSIGNPFABOZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FNO2/c12-6-1-8(14)4-9(2-6)15-5-7(13)3-10(15)11(16)17/h1-5H,(H,16,17).
What are the key properties of 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid?
4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid has a molecular weight of 274.08 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 107370137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).