6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

C9H12F3N3 — CID 81132933

IUPAC6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-6-2-3-7(13)8(15-6)14-5-4-9(10,11)12/h2-3H,4-5,13H2,1H3,(H,14,15)
InChIKeyOWEXHUURGSUCCG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.34
Rot. Bonds3

About 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (PubChem CID 81132933) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
PubChem CID81132933
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-6-2-3-7(13)8(15-6)14-5-4-9(10,11)12/h2-3H,4-5,13H2,1H3,(H,14,15)
InChIKeyOWEXHUURGSUCCG-UHFFFAOYSA-N
XLogP2.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (CID 81132933) is 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is Cc1ccc(N)c(NCCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The InChIKey is OWEXHUURGSUCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-2-3-7(13)8(15-6)14-5-4-9(10,11)12/h2-3H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine has a molecular weight of 219.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is sourced from PubChem (CID 81132933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).