2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine

C7H10F3N3 — CID 154264731

IUPAC2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
SMILESCC1(N)NC(N)=CC=C1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-6(12)4(7(8,9)10)2-3-5(11)13-6/h2-3,13H,11-12H2,1H3
InChIKeyCPISAMSADQLHIT-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.55
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine

2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine (PubChem CID 154264731) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
PubChem CID154264731
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
SMILESCC1(N)NC(N)=CC=C1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-6(12)4(7(8,9)10)2-3-5(11)13-6/h2-3,13H,11-12H2,1H3
InChIKeyCPISAMSADQLHIT-UHFFFAOYSA-N
XLogP0.55
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(trifluoromethyl)-1H-pyridine-2,3-diamine
CID 153929297
2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
CID 154192385
2-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
CID 154271649
(2E)-2-but-3-en-2-ylidene-6-(1-fluoroethyl)-4-methylidene-1H-pyrimidine
CID 144396836
2-Methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
CID 162614099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine (CID 154264731) is 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine is CC1(N)NC(N)=CC=C1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
The InChIKey is CPISAMSADQLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-6(12)4(7(8,9)10)2-3-5(11)13-6/h2-3,13H,11-12H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine has a molecular weight of 193.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine is sourced from PubChem (CID 154264731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).