3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid

C14H7F2IN2O3 — CID 69035529

IUPAC3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2ccncc2c1Nc1c(F)cc(I)cc1F
InChIInChI=1S/C14H7F2IN2O3/c15-8-3-6(17)4-9(16)12(8)19-11-7-5-18-2-1-10(7)22-13(11)14(20)21/h1-5,19H,(H,20,21)
InChIKeyABDDSUUSBZOGPA-UHFFFAOYSA-N
MW416.12 g/mol
LogP4.15
Rot. Bonds3

About 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid

3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 69035529) has the molecular formula C14H7F2IN2O3 and a molecular weight of 416.12 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
PubChem CID69035529
Molecular FormulaC14H7F2IN2O3
Molecular Weight416.12 g/mol
Exact Mass415.95
IUPAC Name3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2ccncc2c1Nc1c(F)cc(I)cc1F
InChIInChI=1S/C14H7F2IN2O3/c15-8-3-6(17)4-9(16)12(8)19-11-7-5-18-2-1-10(7)22-13(11)14(20)21/h1-5,19H,(H,20,21)
InChIKeyABDDSUUSBZOGPA-UHFFFAOYSA-N
XLogP4.15
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.12
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid (CID 69035529) is 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1oc2ccncc2c1Nc1c(F)cc(I)cc1F.
What is the InChIKey of 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is ABDDSUUSBZOGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2IN2O3/c15-8-3-6(17)4-9(16)12(8)19-11-7-5-18-2-1-10(7)22-13(11)14(20)21/h1-5,19H,(H,20,21).
What are the key properties of 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 416.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 69035529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).