7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine

C14H8F5N3O — CID 86580672

IUPAC7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(F)nccc2c1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H8F5N3O/c15-9-2-1-6(5-8(9)14(17,18)19)22-10-7-3-4-21-12(16)11(7)23-13(10)20/h1-5,22H,20H2
InChIKeyXTACCCUQCYYMSH-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.45
Rot. Bonds2

About 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine

7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86580672) has the molecular formula C14H8F5N3O and a molecular weight of 329.23 g/mol. Its IUPAC name is 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
PubChem CID86580672
Molecular FormulaC14H8F5N3O
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(F)nccc2c1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H8F5N3O/c15-9-2-1-6(5-8(9)14(17,18)19)22-10-7-3-4-21-12(16)11(7)23-13(10)20/h1-5,22H,20H2
InChIKeyXTACCCUQCYYMSH-UHFFFAOYSA-N
XLogP4.45
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.45
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 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine (CID 86580672) is 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine is Nc1oc2c(F)nccc2c1Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is XTACCCUQCYYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O/c15-9-2-1-6(5-8(9)14(17,18)19)22-10-7-3-4-21-12(16)11(7)23-13(10)20/h1-5,22H,20H2.
What are the key properties of 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 329.23 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-N-[4-fluoro-3-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86580672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).