2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine

C12H11F2N3 — CID 66280391

IUPAC2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(Nc2cc(F)cc(F)c2)c(N)c1
InChIInChI=1S/C12H11F2N3/c1-7-2-11(15)12(16-6-7)17-10-4-8(13)3-9(14)5-10/h2-6H,15H2,1H3,(H,16,17)
InChIKeyXQTDKSXLMVCKCW-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.99
Rot. Bonds2

About 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine

2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine (PubChem CID 66280391) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine
PubChem CID66280391
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(Nc2cc(F)cc(F)c2)c(N)c1
InChIInChI=1S/C12H11F2N3/c1-7-2-11(15)12(16-6-7)17-10-4-8(13)3-9(14)5-10/h2-6H,15H2,1H3,(H,16,17)
InChIKeyXQTDKSXLMVCKCW-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine (CID 66280391) is 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine is Cc1cnc(Nc2cc(F)cc(F)c2)c(N)c1.
What is the InChIKey of 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine?
The InChIKey is XQTDKSXLMVCKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-7-2-11(15)12(16-6-7)17-10-4-8(13)3-9(14)5-10/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine?
2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine has a molecular weight of 235.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66280391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).