6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid

C15H13F2IN2O2 — CID 142788860

IUPAC6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
SMILESO=C(O)C1=C2CCCN2CC(F)=C1Nc1ccc(I)cc1F
InChIInChI=1S/C15H13F2IN2O2/c16-9-6-8(18)3-4-11(9)19-14-10(17)7-20-5-1-2-12(20)13(14)15(21)22/h3-4,6,19H,1-2,5,7H2,(H,21,22)
InChIKeyOKCFMVOUEJUHNK-UHFFFAOYSA-N
MW418.18 g/mol
LogP3.47
Rot. Bonds3

About 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid

6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid (PubChem CID 142788860) has the molecular formula C15H13F2IN2O2 and a molecular weight of 418.18 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
PubChem CID142788860
Molecular FormulaC15H13F2IN2O2
Molecular Weight418.18 g/mol
Exact Mass418.00
IUPAC Name6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
SMILESO=C(O)C1=C2CCCN2CC(F)=C1Nc1ccc(I)cc1F
InChIInChI=1S/C15H13F2IN2O2/c16-9-6-8(18)3-4-11(9)19-14-10(17)7-20-5-1-2-12(20)13(14)15(21)22/h3-4,6,19H,1-2,5,7H2,(H,21,22)
InChIKeyOKCFMVOUEJUHNK-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.18
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
3-[[2,3,4,5-tetrafluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]azetidine-1-carboxylic acid
CID 174217207
methyl 4-(2-fluoro-4-iodoanilino)-2-methyl-6-oxo-1,5-dihydropyridazine-3-carboxylate
CID 68807597
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[(3-oxooxazinan-2-yl)methyl]benzoic acid
CID 144631740
3-[[2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 174217224
6-fluoro-7-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 42606321
1-(2-fluoro-4-iodophenyl)pyrrolidin-2-one
CID 142682975
4-[[2-(2-fluoro-4-iodoanilino)-2-oxoacetyl]amino]butanoic acid
CID 146107271
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 174235320

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid?
The IUPAC name of 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid (CID 142788860) is 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid?
The canonical SMILES for 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid is O=C(O)C1=C2CCCN2CC(F)=C1Nc1ccc(I)cc1F.
What is the InChIKey of 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid?
The InChIKey is OKCFMVOUEJUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2IN2O2/c16-9-6-8(18)3-4-11(9)19-14-10(17)7-20-5-1-2-12(20)13(14)15(21)22/h3-4,6,19H,1-2,5,7H2,(H,21,22).
What are the key properties of 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid?
6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid has a molecular weight of 418.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid is sourced from PubChem (CID 142788860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).