1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid

C15H13F2NO2 — CID 103587118

IUPAC1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid
SMILESCc1cc(F)c(-c2ccc(C(=O)O)n2C2CC2)cc1F
InChIInChI=1S/C15H13F2NO2/c1-8-6-12(17)10(7-11(8)16)13-4-5-14(15(19)20)18(13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,19,20)
InChIKeyDJYJZVDTLXYZTO-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.77
Rot. Bonds3

About 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid

1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid (PubChem CID 103587118) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid
PubChem CID103587118
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid
SMILESCc1cc(F)c(-c2ccc(C(=O)O)n2C2CC2)cc1F
InChIInChI=1S/C15H13F2NO2/c1-8-6-12(17)10(7-11(8)16)13-4-5-14(15(19)20)18(13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,19,20)
InChIKeyDJYJZVDTLXYZTO-UHFFFAOYSA-N
XLogP3.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid (CID 103587118) is 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid is Cc1cc(F)c(-c2ccc(C(=O)O)n2C2CC2)cc1F.
What is the InChIKey of 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid?
The InChIKey is DJYJZVDTLXYZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-8-6-12(17)10(7-11(8)16)13-4-5-14(15(19)20)18(13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,19,20).
What are the key properties of 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,5-difluoro-4-methylphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 103587118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).