1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid

C7H7FINO2 — CID 130504623

IUPAC1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(I)cn1CCF
InChIInChI=1S/C7H7FINO2/c8-1-2-10-4-5(9)3-6(10)7(11)12/h3-4H,1-2H2,(H,11,12)
InChIKeyBRTWDLTWUHFCFI-UHFFFAOYSA-N
MW283.04 g/mol
LogP1.76
Rot. Bonds3

About 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid

1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid (PubChem CID 130504623) has the molecular formula C7H7FINO2 and a molecular weight of 283.04 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid
PubChem CID130504623
Molecular FormulaC7H7FINO2
Molecular Weight283.04 g/mol
Exact Mass282.95
IUPAC Name1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(I)cn1CCF
InChIInChI=1S/C7H7FINO2/c8-1-2-10-4-5(9)3-6(10)7(11)12/h3-4H,1-2H2,(H,11,12)
InChIKeyBRTWDLTWUHFCFI-UHFFFAOYSA-N
XLogP1.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-1-(2-methylsulfinylethyl)pyrrole-2-carboxylic acid
CID 114606745
1-(2-cyclohexylethyl)-4-iodopyrrole-2-carboxylic acid
CID 114604177
1-[2-[ethyl(methyl)amino]ethyl]-4-iodopyrrole-2-carboxylic acid
CID 114605102
4-iodo-1-(7-methyloctyl)pyrrole-2-carboxylic acid
CID 107817732
4-iodo-1-(3-methylsulfanylbutyl)pyrrole-2-carboxylic acid
CID 114606827
4-iodo-1-[2-(triazol-1-yl)ethyl]pyrrole-2-carboxylic acid
CID 114606553
4-iodo-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxylic acid
CID 114605948
4-iodo-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid
CID 114604123
4-iodo-1-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxylic acid
CID 114606643
1-[3-[benzyl(methyl)amino]propyl]-4-iodopyrrole-2-carboxylic acid
CID 114603823
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-iodopyrrole-2-carboxylic acid
CID 106038920
1-(2-ethoxypropyl)-4-iodopyrrole-2-carboxylic acid
CID 114606710

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid (CID 130504623) is 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid is O=C(O)c1cc(I)cn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid?
The InChIKey is BRTWDLTWUHFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FINO2/c8-1-2-10-4-5(9)3-6(10)7(11)12/h3-4H,1-2H2,(H,11,12).
What are the key properties of 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid?
1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid has a molecular weight of 283.04 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-iodopyrrole-2-carboxylic acid is sourced from PubChem (CID 130504623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).