3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine

C12H10F3N3 — CID 114073968

IUPAC3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
SMILESCc1ccc(F)c(Nc2nc(N)c(F)cc2F)c1
InChIInChI=1S/C12H10F3N3/c1-6-2-3-7(13)10(4-6)17-12-9(15)5-8(14)11(16)18-12/h2-5H,1H3,(H3,16,17,18)
InChIKeyNHUMFZCEBQLVPS-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.13
Rot. Bonds2

About 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine

3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine (PubChem CID 114073968) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
PubChem CID114073968
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
SMILESCc1ccc(F)c(Nc2nc(N)c(F)cc2F)c1
InChIInChI=1S/C12H10F3N3/c1-6-2-3-7(13)10(4-6)17-12-9(15)5-8(14)11(16)18-12/h2-5H,1H3,(H3,16,17,18)
InChIKeyNHUMFZCEBQLVPS-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine (CID 114073968) is 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine is Cc1ccc(F)c(Nc2nc(N)c(F)cc2F)c1.
What is the InChIKey of 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine?
The InChIKey is NHUMFZCEBQLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-6-2-3-7(13)10(4-6)17-12-9(15)5-8(14)11(16)18-12/h2-5H,1H3,(H3,16,17,18).
What are the key properties of 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine?
3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine has a molecular weight of 253.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 114073968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).