5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid

C14H12BrF2NO2 — CID 43671938

IUPAC5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)ccc1-c1c(F)cc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO2/c1-7(2)18-11(3-4-12(18)14(19)20)13-9(15)5-8(16)6-10(13)17/h3-7H,1-2H3,(H,19,20)
InChIKeyWTGKFAXMKRIWKN-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.47
Rot. Bonds3

About 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid

5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 43671938) has the molecular formula C14H12BrF2NO2 and a molecular weight of 344.16 g/mol. Its IUPAC name is 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID43671938
Molecular FormulaC14H12BrF2NO2
Molecular Weight344.16 g/mol
Exact Mass343.00
IUPAC Name5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)ccc1-c1c(F)cc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO2/c1-7(2)18-11(3-4-12(18)14(19)20)13-9(15)5-8(16)6-10(13)17/h3-7H,1-2H3,(H,19,20)
InChIKeyWTGKFAXMKRIWKN-UHFFFAOYSA-N
XLogP4.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic 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

5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43671859
5-(2-bromo-5-iodophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 114261132
5-(2,4-dibromo-5-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 103416572
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
1-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2-carboxylic acid
CID 107645794
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
4-(2-bromophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 117222505
4-(2-bromo-4,6-difluoroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496506
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene
CID 156856263

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid (CID 43671938) is 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid is CC(C)n1c(C(=O)O)ccc1-c1c(F)cc(F)cc1Br.
What is the InChIKey of 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is WTGKFAXMKRIWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2/c1-7(2)18-11(3-4-12(18)14(19)20)13-9(15)5-8(16)6-10(13)17/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 344.16 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).