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

C9H14F3N3 — CID 154192385

IUPAC2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
SMILESCCCC1(N)NC(N)=CC=C1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-5-8(14)6(9(10,11)12)3-4-7(13)15-8/h3-4,15H,2,5,13-14H2,1H3
InChIKeyDBMBCLBFLRSRRN-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.33
Rot. Bonds2

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

2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine (PubChem CID 154192385) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine.

Molecular Properties

Compound Name2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
PubChem CID154192385
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
SMILESCCCC1(N)NC(N)=CC=C1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-5-8(14)6(9(10,11)12)3-4-7(13)15-8/h3-4,15H,2,5,13-14H2,1H3
InChIKeyDBMBCLBFLRSRRN-UHFFFAOYSA-N
XLogP1.33
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
CID 154264731
1-N'-[(1E,3Z)-3-(difluoromethyl)-2-methyl-1-(2-methylcyclopenten-1-yl)penta-1,3-dienyl]ethene-1,1-diamine
CID 170002546

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
The IUPAC name of 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine (CID 154192385) is 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine.
What is the SMILES notation for 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
The canonical SMILES for 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine is CCCC1(N)NC(N)=CC=C1C(F)(F)F.
What is the InChIKey of 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
The InChIKey is DBMBCLBFLRSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-5-8(14)6(9(10,11)12)3-4-7(13)15-8/h3-4,15H,2,5,13-14H2,1H3.
What are the key properties of 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine?
2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine has a molecular weight of 221.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine is sourced from PubChem (CID 154192385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).