2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine

C13H13F2N3O2 — CID 43261798

IUPAC2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccccc2OC(F)F)ccc1N
InChIInChI=1S/C13H13F2N3O2/c1-19-12-8(16)6-7-11(18-12)17-9-4-2-3-5-10(9)20-13(14)15/h2-7,13H,16H2,1H3,(H,17,18)
InChIKeyFVGGYJAYKPNPQW-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.02
Rot. Bonds5

About 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine

2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine (PubChem CID 43261798) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine
PubChem CID43261798
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccccc2OC(F)F)ccc1N
InChIInChI=1S/C13H13F2N3O2/c1-19-12-8(16)6-7-11(18-12)17-9-4-2-3-5-10(9)20-13(14)15/h2-7,13H,16H2,1H3,(H,17,18)
InChIKeyFVGGYJAYKPNPQW-UHFFFAOYSA-N
XLogP3.02
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine (CID 43261798) is 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine is COc1nc(Nc2ccccc2OC(F)F)ccc1N.
What is the InChIKey of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine?
The InChIKey is FVGGYJAYKPNPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-19-12-8(16)6-7-11(18-12)17-9-4-2-3-5-10(9)20-13(14)15/h2-7,13H,16H2,1H3,(H,17,18).
What are the key properties of 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine?
2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine has a molecular weight of 281.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 43261798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).