2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine

C8H11F2N3 — CID 83266255

IUPAC2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCC(F)F)cc1N
InChIInChI=1S/C8H11F2N3/c1-5-3-12-8(2-6(5)11)13-4-7(9)10/h2-3,7H,4H2,1H3,(H3,11,12,13)
InChIKeyJANDBPAOQFJCLD-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.65
Rot. Bonds3

About 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine

2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine (PubChem CID 83266255) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
PubChem CID83266255
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCC(F)F)cc1N
InChIInChI=1S/C8H11F2N3/c1-5-3-12-8(2-6(5)11)13-4-7(9)10/h2-3,7H,4H2,1H3,(H3,11,12,13)
InChIKeyJANDBPAOQFJCLD-UHFFFAOYSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine (CID 83266255) is 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine is Cc1cnc(NCC(F)F)cc1N.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine?
The InChIKey is JANDBPAOQFJCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-5-3-12-8(2-6(5)11)13-4-7(9)10/h2-3,7H,4H2,1H3,(H3,11,12,13).
What are the key properties of 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine?
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine has a molecular weight of 187.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83266255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).