7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid

C14H7BrFIN2O3 — CID 59704567

IUPAC7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2c(Br)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H7BrFIN2O3/c15-8-5-18-4-7-11(13(14(20)21)22-12(7)8)19-10-2-1-6(17)3-9(10)16/h1-5,19H,(H,20,21)
InChIKeyLNMMZTRANXOGKD-UHFFFAOYSA-N
MW477.03 g/mol
LogP4.78
Rot. Bonds3

About 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid

7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 59704567) has the molecular formula C14H7BrFIN2O3 and a molecular weight of 477.03 g/mol. Its IUPAC name is 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
PubChem CID59704567
Molecular FormulaC14H7BrFIN2O3
Molecular Weight477.03 g/mol
Exact Mass475.87
IUPAC Name7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2c(Br)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H7BrFIN2O3/c15-8-5-18-4-7-11(13(14(20)21)22-12(7)8)19-10-2-1-6(17)3-9(10)16/h1-5,19H,(H,20,21)
InChIKeyLNMMZTRANXOGKD-UHFFFAOYSA-N
XLogP4.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 54.78
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 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid (CID 59704567) is 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1oc2c(Br)cncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is LNMMZTRANXOGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFIN2O3/c15-8-5-18-4-7-11(13(14(20)21)22-12(7)8)19-10-2-1-6(17)3-9(10)16/h1-5,19H,(H,20,21).
What are the key properties of 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid?
7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 477.03 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 59704567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).