5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine

C13H12F2N2 — CID 83170014

IUPAC5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine
SMILESCc1cc(F)c(-c2cnc(N)c(C)c2)cc1F
InChIInChI=1S/C13H12F2N2/c1-7-4-12(15)10(5-11(7)14)9-3-8(2)13(16)17-6-9/h3-6H,1-2H3,(H2,16,17)
InChIKeyWGPDIFWZKJQAHK-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.23
Rot. Bonds1

About 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine

5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine (PubChem CID 83170014) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine
PubChem CID83170014
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine
SMILESCc1cc(F)c(-c2cnc(N)c(C)c2)cc1F
InChIInChI=1S/C13H12F2N2/c1-7-4-12(15)10(5-11(7)14)9-3-8(2)13(16)17-6-9/h3-6H,1-2H3,(H2,16,17)
InChIKeyWGPDIFWZKJQAHK-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine (CID 83170014) is 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine is Cc1cc(F)c(-c2cnc(N)c(C)c2)cc1F.
What is the InChIKey of 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine?
The InChIKey is WGPDIFWZKJQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-7-4-12(15)10(5-11(7)14)9-3-8(2)13(16)17-6-9/h3-6H,1-2H3,(H2,16,17).
What are the key properties of 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine?
5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine has a molecular weight of 234.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 83170014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).