7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine

C13H9BrFN3O — CID 118871010

IUPAC7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccc(F)cc3Br)nccc2c1N
InChIInChI=1S/C13H9BrFN3O/c14-9-5-6(15)1-2-7(9)11-12-8(3-4-18-11)10(16)13(17)19-12/h1-5H,16-17H2
InChIKeyWIKHYTUMVOYAPO-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.56
Rot. Bonds1

About 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine

7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 118871010) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID118871010
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccc(F)cc3Br)nccc2c1N
InChIInChI=1S/C13H9BrFN3O/c14-9-5-6(15)1-2-7(9)11-12-8(3-4-18-11)10(16)13(17)19-12/h1-5H,16-17H2
InChIKeyWIKHYTUMVOYAPO-UHFFFAOYSA-N
XLogP3.56
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine (CID 118871010) is 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine is Nc1oc2c(-c3ccc(F)cc3Br)nccc2c1N.
What is the InChIKey of 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is WIKHYTUMVOYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c14-9-5-6(15)1-2-7(9)11-12-8(3-4-18-11)10(16)13(17)19-12/h1-5H,16-17H2.
What are the key properties of 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 322.14 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromo-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118871010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).