2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine

C9H12F3N3 — CID 167035206

IUPAC2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESC=C1C(C(F)(F)F)=CC(N)=C(NC)N1C
InChIInChI=1S/C9H12F3N3/c1-5-6(9(10,11)12)4-7(13)8(14-2)15(5)3/h4,14H,1,13H2,2-3H3
InChIKeyORIFFMOPPGTENH-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.28
Rot. Bonds1

About 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine

2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 167035206) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID167035206
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESC=C1C(C(F)(F)F)=CC(N)=C(NC)N1C
InChIInChI=1S/C9H12F3N3/c1-5-6(9(10,11)12)4-7(13)8(14-2)15(5)3/h4,14H,1,13H2,2-3H3
InChIKeyORIFFMOPPGTENH-UHFFFAOYSA-N
XLogP1.28
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine (CID 167035206) is 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine is C=C1C(C(F)(F)F)=CC(N)=C(NC)N1C.
What is the InChIKey of 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is ORIFFMOPPGTENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5-6(9(10,11)12)4-7(13)8(14-2)15(5)3/h4,14H,1,13H2,2-3H3.
What are the key properties of 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine?
2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 219.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,1-dimethyl-6-methylidene-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 167035206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).