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

C14H13F2NO2 — CID 43671859

IUPAC5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)ccc1-c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO2/c1-8(2)17-11(6-7-12(17)14(18)19)13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyAZGOUWHVPSEQOT-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.71
Rot. Bonds3

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

5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 43671859) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID43671859
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)ccc1-c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO2/c1-8(2)17-11(6-7-12(17)14(18)19)13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyAZGOUWHVPSEQOT-UHFFFAOYSA-N
XLogP3.71
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-4,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43671938
1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid
CID 43671634
5-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 65473582
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
5-(3-chloro-4-nitrophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 82866022
4-acetyl-1-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxylic acid
CID 114604471
5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
2-fluoro-6-methylbenzoic acid
CID 13478132
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
1-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2-carboxylic acid
CID 107645794
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 114560401

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid (CID 43671859) is 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid is CC(C)n1c(C(=O)O)ccc1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is AZGOUWHVPSEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-8(2)17-11(6-7-12(17)14(18)19)13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).