2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine

C9H14F3N3 — CID 151032650

IUPAC2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine
SMILESCCNC1(N)NC=CC=C1CC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-14-9(13)7(4-3-5-15-9)6-8(10,11)12/h3-5,14-15H,2,6,13H2,1H3
InChIKeyMAJVFBYSEVOBOT-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.20
Rot. Bonds3

About 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine

2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine (PubChem CID 151032650) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine.

Molecular Properties

Compound Name2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine
PubChem CID151032650
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine
SMILESCCNC1(N)NC=CC=C1CC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-14-9(13)7(4-3-5-15-9)6-8(10,11)12/h3-5,14-15H,2,6,13H2,1H3
InChIKeyMAJVFBYSEVOBOT-UHFFFAOYSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 89073813
5-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 117838303
N-ethyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 131970485
N-cyclobutyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 131970640
N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
CID 137468108
N-[(4-fluoro-5-methyl-2H-pyridin-1-yl)methyl]ethanamine
CID 137532740
3-[(3E,5Z)-3-[(Z)-2-amino-1-fluoroethenyl]-4-fluorohepta-1,3,5-trienyl]-5-(aminomethyl)-1,2-dihydropyridin-6-amine
CID 138718899
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
N-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 156280264
4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 156715331
(3R,4Z)-N-ethyl-3-methyl-4-(2,2,2-trifluoroethylidene)-2,3-dihydro-1H-pyridin-6-amine
CID 164103160

Frequently Asked Questions

What is the IUPAC name of 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine?
The IUPAC name of 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine (CID 151032650) is 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine.
What is the SMILES notation for 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine?
The canonical SMILES for 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine is CCNC1(N)NC=CC=C1CC(F)(F)F.
What is the InChIKey of 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine?
The InChIKey is MAJVFBYSEVOBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-14-9(13)7(4-3-5-15-9)6-8(10,11)12/h3-5,14-15H,2,6,13H2,1H3.
What are the key properties of 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine?
2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine has a molecular weight of 221.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-ethyl-3-(2,2,2-trifluoroethyl)-1H-pyridine-2,2-diamine is sourced from PubChem (CID 151032650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).