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

C13H12F2N2 — CID 79732792

IUPAC5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(-c2cnc(N)cc2C)c(F)cc1F
InChIInChI=1S/C13H12F2N2/c1-7-4-13(16)17-6-10(7)9-3-8(2)11(14)5-12(9)15/h3-6H,1-2H3,(H2,16,17)
InChIKeyVMPYAAOBLMSFFD-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.23
Rot. Bonds1

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

5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine (PubChem CID 79732792) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine
PubChem CID79732792
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(-c2cnc(N)cc2C)c(F)cc1F
InChIInChI=1S/C13H12F2N2/c1-7-4-13(16)17-6-10(7)9-3-8(2)11(14)5-12(9)15/h3-6H,1-2H3,(H2,16,17)
InChIKeyVMPYAAOBLMSFFD-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-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine (CID 79732792) is 5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine is Cc1cc(-c2cnc(N)cc2C)c(F)cc1F.
What is the InChIKey of 5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine?
The InChIKey is VMPYAAOBLMSFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-7-4-13(16)17-6-10(7)9-3-8(2)11(14)5-12(9)15/h3-6H,1-2H3,(H2,16,17).
What are the key properties of 5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine?
5-(2,4-difluoro-5-methylphenyl)-4-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-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 79732792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).