4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine

C12H10F3N3 — CID 70980005

IUPAC4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1nc(C(F)(F)F)cc(-c2ccccc2)c1N
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-6-8(10(16)11(17)18-9)7-4-2-1-3-5-7/h1-6H,16H2,(H2,17,18)
InChIKeyFXOMRFXAUWWKBE-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.93
Rot. Bonds1

About 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine

4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 70980005) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID70980005
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1nc(C(F)(F)F)cc(-c2ccccc2)c1N
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-6-8(10(16)11(17)18-9)7-4-2-1-3-5-7/h1-6H,16H2,(H2,17,18)
InChIKeyFXOMRFXAUWWKBE-UHFFFAOYSA-N
XLogP2.93
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine (CID 70980005) is 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine is Nc1nc(C(F)(F)F)cc(-c2ccccc2)c1N.
What is the InChIKey of 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is FXOMRFXAUWWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)9-6-8(10(16)11(17)18-9)7-4-2-1-3-5-7/h1-6H,16H2,(H2,17,18).
What are the key properties of 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine?
4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 253.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 70980005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).