1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid

C11H6ClFINO2 — CID 114603399

IUPAC1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(I)cn1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H6ClFINO2/c12-8-3-6(13)1-2-9(8)15-5-7(14)4-10(15)11(16)17/h1-5H,(H,16,17)
InChIKeyVZKBVZSENQKTJY-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.57
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid

1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid (PubChem CID 114603399) has the molecular formula C11H6ClFINO2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid
PubChem CID114603399
Molecular FormulaC11H6ClFINO2
Molecular Weight365.53 g/mol
Exact Mass364.91
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(I)cn1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H6ClFINO2/c12-8-3-6(13)1-2-9(8)15-5-7(14)4-10(15)11(16)17/h1-5H,(H,16,17)
InChIKeyVZKBVZSENQKTJY-UHFFFAOYSA-N
XLogP3.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.57
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

1-(5-fluoro-2-methylphenyl)-4-iodopyrrole-2-carboxylic acid
CID 114603585
4-bromo-1-(2-chloro-4-iodophenyl)pyrrole-2-carboxylic acid
CID 107607535
4-chloro-1-(5-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 114603586
4-bromo-1-(2-bromo-4-fluorophenyl)pyrrole-2-carboxylic acid
CID 114603698
1-(2-tert-butylphenyl)-4-iodopyrrole-2-carboxylic acid
CID 114605600
[3-(2-chloro-4-fluorophenyl)-2-sulfanylideneimidazol-1-yl]-phenylmethanone
CID 11163378
4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
CID 114603238
4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
CID 114605909
4-iodo-1-(4-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
CID 114605401
4-iodo-1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid
CID 114605986
1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid
CID 43477034
4-chloro-1-(2-fluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603655

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid (CID 114603399) is 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid is O=C(O)c1cc(I)cn1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid?
The InChIKey is VZKBVZSENQKTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFINO2/c12-8-3-6(13)1-2-9(8)15-5-7(14)4-10(15)11(16)17/h1-5H,(H,16,17).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid?
1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid has a molecular weight of 365.53 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid is sourced from PubChem (CID 114603399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).