2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine

C12H11F2N3O — CID 115320365

IUPAC2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H11F2N3O/c1-18-11-3-2-10(15)12(17-11)16-9-5-7(13)4-8(14)6-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyHVIMWOSHTZNKTG-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.69
Rot. Bonds3

About 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine

2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine (PubChem CID 115320365) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine
PubChem CID115320365
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H11F2N3O/c1-18-11-3-2-10(15)12(17-11)16-9-5-7(13)4-8(14)6-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyHVIMWOSHTZNKTG-UHFFFAOYSA-N
XLogP2.69
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine (CID 115320365) is 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine?
The InChIKey is HVIMWOSHTZNKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-18-11-3-2-10(15)12(17-11)16-9-5-7(13)4-8(14)6-9/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine?
2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine has a molecular weight of 251.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 115320365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).