4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid

C11H7Cl2NO2 — CID 60789782

IUPAC4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H7Cl2NO2/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(9)11(15)16/h1-5,14H,(H,15,16)
InChIKeyZILUGVZOKNNUBH-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.69
Rot. Bonds2

About 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid

4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 60789782) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID60789782
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H7Cl2NO2/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(9)11(15)16/h1-5,14H,(H,15,16)
InChIKeyZILUGVZOKNNUBH-UHFFFAOYSA-N
XLogP3.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 66161255
4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid;molecular iodine
CID 90861782
4-chloro-1H-pyrrole-3-carboxylic acid
CID 82417743
8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 134498075
4-(4-tert-butylphenyl)-1H-pyrrole-3-carboxylic acid
CID 43316725
5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid
CID 172654759
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
3-(3,5-dichlorophenyl)-5-nitro-1H-pyridin-4-one
CID 133092901
2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
CID 53226704
[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone
CID 102498223
5-chloro-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 145411084

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid (CID 60789782) is 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid is O=C(O)c1c[nH]cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is ZILUGVZOKNNUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(9)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid?
4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 256.09 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 60789782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).