1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine

C11H13F3N4 — CID 59177157

IUPAC1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESCCn1c(C(C)N)nc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C11H13F3N4/c1-3-18-8-4-7(11(12,13)14)5-16-9(8)17-10(18)6(2)15/h4-6H,3,15H2,1-2H3
InChIKeyKBJBTCSKTGEYPE-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.49
Rot. Bonds2

About 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine

1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine (PubChem CID 59177157) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
PubChem CID59177157
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESCCn1c(C(C)N)nc2ncc(C(F)(F)F)cc21
InChIInChI=1S/C11H13F3N4/c1-3-18-8-4-7(11(12,13)14)5-16-9(8)17-10(18)6(2)15/h4-6H,3,15H2,1-2H3
InChIKeyKBJBTCSKTGEYPE-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 2
CID 49970
Glu-P 1
CID 49971
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
Bms 345541
CID 9926054
Imidazo(4,5-b)pyridine
CID 67504
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
Cruzain-IN-1
CID 44143088
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The IUPAC name of 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine (CID 59177157) is 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The canonical SMILES for 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine is CCn1c(C(C)N)nc2ncc(C(F)(F)F)cc21.
What is the InChIKey of 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The InChIKey is KBJBTCSKTGEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-3-18-8-4-7(11(12,13)14)5-16-9(8)17-10(18)6(2)15/h4-6H,3,15H2,1-2H3.
What are the key properties of 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine has a molecular weight of 258.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine is sourced from PubChem (CID 59177157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).