N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid

C15H11F3N2O3 — CID 56587824

IUPACN-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(Nc2coc3cccnc23)cc1
InChIInChI=1S/C13H10N2O.C2HF3O2/c1-2-5-10(6-3-1)15-11-9-16-12-7-4-8-14-13(11)12;3-2(4,5)1(6)7/h1-9,15H;(H,6,7)
InChIKeyQBGCYZHXGQZNJO-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.20
Rot. Bonds2

About N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid

N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 56587824) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID56587824
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC NameN-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(Nc2coc3cccnc23)cc1
InChIInChI=1S/C13H10N2O.C2HF3O2/c1-2-5-10(6-3-1)15-11-9-16-12-7-4-8-14-13(11)12;3-2(4,5)1(6)7/h1-9,15H;(H,6,7)
InChIKeyQBGCYZHXGQZNJO-UHFFFAOYSA-N
XLogP4.20
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 56587824) is N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(Nc2coc3cccnc23)cc1.
What is the InChIKey of N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QBGCYZHXGQZNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O.C2HF3O2/c1-2-5-10(6-3-1)15-11-9-16-12-7-4-8-14-13(11)12;3-2(4,5)1(6)7/h1-9,15H;(H,6,7).
What are the key properties of N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid?
N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 324.26 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylfuro[3,2-b]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56587824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).