1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid

C12H9F2NO3 — CID 43477022

IUPAC1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccccc1OC(F)F
InChIInChI=1S/C12H9F2NO3/c13-12(14)18-10-6-2-1-4-8(10)15-7-3-5-9(15)11(16)17/h1-7,12H,(H,16,17)
InChIKeyYGZNDWFCUWDXDA-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.78
Rot. Bonds4

About 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid

1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid (PubChem CID 43477022) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
PubChem CID43477022
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1ccccc1OC(F)F
InChIInChI=1S/C12H9F2NO3/c13-12(14)18-10-6-2-1-4-8(10)15-7-3-5-9(15)11(16)17/h1-7,12H,(H,16,17)
InChIKeyYGZNDWFCUWDXDA-UHFFFAOYSA-N
XLogP2.78
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79873749
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
CID 155342529
1-[2-(difluoromethoxy)phenyl]imidazolidin-2-one
CID 115370453
1-[2-(difluoromethoxy)phenyl]-3-[(E)-2-methyl-3-(methylamino)prop-2-enoyl]pyridazin-4-one
CID 126486232
1-(5-fluoro-2-pyridinyl)pyrrole-2-carboxylic acid
CID 175768383
2-[[4-[2-(difluoromethoxy)phenyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43329091
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
1-(4-bromo-2-methylphenyl)pyrrole-2-carboxylic acid
CID 17390087
2-[2-(difluoromethoxy)benzoyl]propanedinitrile
CID 112732107
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86963270
5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 43414513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid (CID 43477022) is 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
The InChIKey is YGZNDWFCUWDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c13-12(14)18-10-6-2-1-4-8(10)15-7-3-5-9(15)11(16)17/h1-7,12H,(H,16,17).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid?
1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid has a molecular weight of 253.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 43477022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).