N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine

C18H13F3N2 — CID 21354261

IUPACN-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine
SMILESCc1cc(F)ccc1-c1cccc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H13F3N2/c1-11-10-12(19)8-9-13(11)16-6-3-7-17(22-16)23-18-14(20)4-2-5-15(18)21/h2-10H,1H3,(H,22,23)
InChIKeyUPJLNPFHLCBBOI-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.22
Rot. Bonds3

About N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine

N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine (PubChem CID 21354261) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine
PubChem CID21354261
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC NameN-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine
SMILESCc1cc(F)ccc1-c1cccc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H13F3N2/c1-11-10-12(19)8-9-13(11)16-6-3-7-17(22-16)23-18-14(20)4-2-5-15(18)21/h2-10H,1H3,(H,22,23)
InChIKeyUPJLNPFHLCBBOI-UHFFFAOYSA-N
XLogP5.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine (CID 21354261) is N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine is Cc1cc(F)ccc1-c1cccc(Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine?
The InChIKey is UPJLNPFHLCBBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c1-11-10-12(19)8-9-13(11)16-6-3-7-17(22-16)23-18-14(20)4-2-5-15(18)21/h2-10H,1H3,(H,22,23).
What are the key properties of N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine?
N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine has a molecular weight of 314.31 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 21354261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).