3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine

C13H8ClF2N3O — CID 86580518

IUPAC3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(F)nccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF2N3O/c14-8-5-6(1-2-9(8)15)19-10-7-3-4-18-12(16)11(7)20-13(10)17/h1-5,19H,17H2
InChIKeyYUYAOFOJEHDXSS-UHFFFAOYSA-N
MW295.68 g/mol
LogP4.09
Rot. Bonds2

About 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine

3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine (PubChem CID 86580518) has the molecular formula C13H8ClF2N3O and a molecular weight of 295.68 g/mol. Its IUPAC name is 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine
PubChem CID86580518
Molecular FormulaC13H8ClF2N3O
Molecular Weight295.68 g/mol
Exact Mass295.03
IUPAC Name3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(F)nccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF2N3O/c14-8-5-6(1-2-9(8)15)19-10-7-3-4-18-12(16)11(7)20-13(10)17/h1-5,19H,17H2
InChIKeyYUYAOFOJEHDXSS-UHFFFAOYSA-N
XLogP4.09
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine (CID 86580518) is 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine is Nc1oc2c(F)nccc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine?
The InChIKey is YUYAOFOJEHDXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3O/c14-8-5-6(1-2-9(8)15)19-10-7-3-4-18-12(16)11(7)20-13(10)17/h1-5,19H,17H2.
What are the key properties of 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine?
3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine has a molecular weight of 295.68 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-4-fluorophenyl)-7-fluorofuro[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86580518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).