6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C9H12F3N3O — CID 43261092

IUPAC6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCOc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C9H12F3N3O/c1-2-16-8-6(13)3-4-7(15-8)14-5-9(10,11)12/h3-4H,2,5,13H2,1H3,(H,14,15)
InChIKeyGMMMQOXAKBXRPA-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.04
Rot. Bonds4

About 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 43261092) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID43261092
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCOc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C9H12F3N3O/c1-2-16-8-6(13)3-4-7(15-8)14-5-9(10,11)12/h3-4H,2,5,13H2,1H3,(H,14,15)
InChIKeyGMMMQOXAKBXRPA-UHFFFAOYSA-N
XLogP2.04
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170948
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224
6-ethoxy-2-N-(2-ethoxyethyl)pyridine-2,5-diamine
CID 43591109
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939
6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
CID 106217282
6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63981193
2-[(5-amino-6-ethoxy-2-pyridinyl)amino]ethanesulfonamide
CID 43551624
methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
CID 61295169
2-N-(2,2-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 103460190
6-ethoxy-2-N-phenylpyridine-2,5-diamine
CID 43261284

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 43261092) is 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CCOc1nc(NCC(F)(F)F)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is GMMMQOXAKBXRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-16-8-6(13)3-4-7(15-8)14-5-9(10,11)12/h3-4H,2,5,13H2,1H3,(H,14,15).
What are the key properties of 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 235.21 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).