3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine

C13H9BrFN3O — CID 86582166

IUPAC3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrFN3O/c14-9-5-7(1-2-10(9)15)18-12-8-3-4-17-6-11(8)19-13(12)16/h1-6,18H,16H2
InChIKeyKBJUOIUSOJGQLO-UHFFFAOYSA-N
MW322.14 g/mol
LogP4.06
Rot. Bonds2

About 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine

3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86582166) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID86582166
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrFN3O/c14-9-5-7(1-2-10(9)15)18-12-8-3-4-17-6-11(8)19-13(12)16/h1-6,18H,16H2
InChIKeyKBJUOIUSOJGQLO-UHFFFAOYSA-N
XLogP4.06
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine (CID 86582166) is 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine is Nc1oc2cnccc2c1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is KBJUOIUSOJGQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c14-9-5-7(1-2-10(9)15)18-12-8-3-4-17-6-11(8)19-13(12)16/h1-6,18H,16H2.
What are the key properties of 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 322.14 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).