3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine

C13H8F3N3O — CID 86581861

IUPAC3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C13H8F3N3O/c14-7-3-9(16)10(4-8(7)15)19-12-6-1-2-18-5-11(6)20-13(12)17/h1-5,19H,17H2
InChIKeyZORGHSGBCUOMQX-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.57
Rot. Bonds2

About 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine

3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86581861) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID86581861
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C13H8F3N3O/c14-7-3-9(16)10(4-8(7)15)19-12-6-1-2-18-5-11(6)20-13(12)17/h1-5,19H,17H2
InChIKeyZORGHSGBCUOMQX-UHFFFAOYSA-N
XLogP3.57
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine (CID 86581861) is 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine is Nc1oc2cnccc2c1Nc1cc(F)c(F)cc1F.
What is the InChIKey of 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is ZORGHSGBCUOMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-7-3-9(16)10(4-8(7)15)19-12-6-1-2-18-5-11(6)20-13(12)17/h1-5,19H,17H2.
What are the key properties of 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 279.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4,5-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86581861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).