2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine

C8H12F3N3 — CID 150959017

IUPAC2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine
SMILESCC1(NCC(F)(F)F)C=CC=C(N)N1
InChIInChI=1S/C8H12F3N3/c1-7(13-5-8(9,10)11)4-2-3-6(12)14-7/h2-4,13-14H,5,12H2,1H3
InChIKeyLLRRCIRFUSDOFY-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.81
Rot. Bonds2

About 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine

2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine (PubChem CID 150959017) 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-2,6-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine
PubChem CID150959017
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine
SMILESCC1(NCC(F)(F)F)C=CC=C(N)N1
InChIInChI=1S/C8H12F3N3/c1-7(13-5-8(9,10)11)4-2-3-6(12)14-7/h2-4,13-14H,5,12H2,1H3
InChIKeyLLRRCIRFUSDOFY-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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Related Compounds

(2S)-2-(trifluoromethyl)-1H-pyridin-2-amine
CID 69370327
2-(trifluoromethyl)-1H-pyridin-2-amine
CID 70562359
6-Pyrrolidin-1-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 90315439
5-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 117838303
N-ethyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 131970485
N-ethyl-N'-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanediamine
CID 132150014
2-(trifluoromethyl)-1H-pyridine-2,4-diamine
CID 149801707
2-(difluoromethyl)-1H-pyridin-2-amine
CID 150905582
2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
CID 151380274
2-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
CID 154271649
4-Propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 162769804
(3Z)-N-(2,2,2-trifluoroethyl)hexa-1,3-dien-2-amine
CID 167202251

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine?
The IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine (CID 150959017) is 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine.
What is the SMILES notation for 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine?
The canonical SMILES for 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine is CC1(NCC(F)(F)F)C=CC=C(N)N1.
What is the InChIKey of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine?
The InChIKey is LLRRCIRFUSDOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-7(13-5-8(9,10)11)4-2-3-6(12)14-7/h2-4,13-14H,5,12H2,1H3.
What are the key properties of 2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-diamine?
2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,6-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-2,6-diamine is sourced from PubChem (CID 150959017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).