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

C14H10F3N3O — CID 86581716

IUPAC3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)8-1-3-9(4-2-8)20-12-10-5-6-19-7-11(10)21-13(12)18/h1-7,20H,18H2
InChIKeyACRUVXKHTGBCGW-UHFFFAOYSA-N
MW293.25 g/mol
LogP4.17
Rot. Bonds2

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

3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86581716) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
PubChem CID86581716
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)8-1-3-9(4-2-8)20-12-10-5-6-19-7-11(10)21-13(12)18/h1-7,20H,18H2
InChIKeyACRUVXKHTGBCGW-UHFFFAOYSA-N
XLogP4.17
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine (CID 86581716) is 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine is Nc1oc2cnccc2c1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is ACRUVXKHTGBCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)8-1-3-9(4-2-8)20-12-10-5-6-19-7-11(10)21-13(12)18/h1-7,20H,18H2.
What are the key properties of 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine?
3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 293.25 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86581716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).