2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine

C8H12F3N3 — CID 151380274

IUPAC2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
SMILESCC1(NCC(F)(F)F)C=CC(N)=CN1
InChIInChI=1S/C8H12F3N3/c1-7(14-5-8(9,10)11)3-2-6(12)4-13-7/h2-4,13-14H,5,12H2,1H3
InChIKeyOSGQUFDCWRUBMY-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.81
Rot. Bonds2

About 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine

2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine (PubChem CID 151380274) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
PubChem CID151380274
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
SMILESCC1(NCC(F)(F)F)C=CC(N)=CN1
InChIInChI=1S/C8H12F3N3/c1-7(14-5-8(9,10)11)3-2-6(12)4-13-7/h2-4,13-14H,5,12H2,1H3
InChIKeyOSGQUFDCWRUBMY-UHFFFAOYSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
The IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine (CID 151380274) is 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine.
What is the SMILES notation for 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
The canonical SMILES for 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine is CC1(NCC(F)(F)F)C=CC(N)=CN1.
What is the InChIKey of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
The InChIKey is OSGQUFDCWRUBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-7(14-5-8(9,10)11)3-2-6(12)4-13-7/h2-4,13-14H,5,12H2,1H3.
What are the key properties of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine has a molecular weight of 207.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine is sourced from PubChem (CID 151380274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).