N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine

C12H6F6N2 — CID 82820207

IUPACN-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCc1ccc(F)c(Nc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C12H6F6N2/c1-4-2-3-5(13)9(6(4)14)19-10-7(15)11(17)20-12(18)8(10)16/h2-3H,1H3,(H,19,20)
InChIKeyVVIURYTUOYMSOE-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.97
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine

N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 82820207) has the molecular formula C12H6F6N2 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID82820207
Molecular FormulaC12H6F6N2
Molecular Weight292.18 g/mol
Exact Mass292.04
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCc1ccc(F)c(Nc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C12H6F6N2/c1-4-2-3-5(13)9(6(4)14)19-10-7(15)11(17)20-12(18)8(10)16/h2-3H,1H3,(H,19,20)
InChIKeyVVIURYTUOYMSOE-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine (CID 82820207) is N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine is Cc1ccc(F)c(Nc2c(F)c(F)nc(F)c2F)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is VVIURYTUOYMSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2/c1-4-2-3-5(13)9(6(4)14)19-10-7(15)11(17)20-12(18)8(10)16/h2-3H,1H3,(H,19,20).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 82820207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).