6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine

C13H12F3N3O2 — CID 43261455

IUPAC6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine
SMILESCOc1nc(Nc2ccccc2OC(F)(F)F)ccc1N
InChIInChI=1S/C13H12F3N3O2/c1-20-12-8(17)6-7-11(19-12)18-9-4-2-3-5-10(9)21-13(14,15)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyAVBBYEPEAXPHTQ-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.31
Rot. Bonds4

About 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine

6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine (PubChem CID 43261455) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine
PubChem CID43261455
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine
SMILESCOc1nc(Nc2ccccc2OC(F)(F)F)ccc1N
InChIInChI=1S/C13H12F3N3O2/c1-20-12-8(17)6-7-11(19-12)18-9-4-2-3-5-10(9)21-13(14,15)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyAVBBYEPEAXPHTQ-UHFFFAOYSA-N
XLogP3.31
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine (CID 43261455) is 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine is COc1nc(Nc2ccccc2OC(F)(F)F)ccc1N.
What is the InChIKey of 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine?
The InChIKey is AVBBYEPEAXPHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-20-12-8(17)6-7-11(19-12)18-9-4-2-3-5-10(9)21-13(14,15)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine?
6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine has a molecular weight of 299.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine is sourced from PubChem (CID 43261455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).