2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine

C7H10F3N3 — CID 166063804

IUPAC2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine
SMILESCNC1N=CC=CC1(N)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-12-5-6(11,7(8,9)10)3-2-4-13-5/h2-5,12H,11H2,1H3
InChIKeyAVIVZPLLWBFRFO-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.43
Rot. Bonds1

About 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine

2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine (PubChem CID 166063804) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine
PubChem CID166063804
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine
SMILESCNC1N=CC=CC1(N)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-12-5-6(11,7(8,9)10)3-2-4-13-5/h2-5,12H,11H2,1H3
InChIKeyAVIVZPLLWBFRFO-UHFFFAOYSA-N
XLogP0.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(Trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine
CID 70252666
3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine
CID 141225359
2-N-methyl-2,3-dihydropyridine-2,3-diamine
CID 163541354

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine?
The IUPAC name of 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine (CID 166063804) is 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine.
What is the SMILES notation for 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine?
The canonical SMILES for 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine is CNC1N=CC=CC1(N)C(F)(F)F.
What is the InChIKey of 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine?
The InChIKey is AVIVZPLLWBFRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-12-5-6(11,7(8,9)10)3-2-4-13-5/h2-5,12H,11H2,1H3.
What are the key properties of 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine?
2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine has a molecular weight of 193.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine is sourced from PubChem (CID 166063804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).