ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine

C10H14F3N3 — CID 142222860

IUPACethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
SMILESCC.Cn1c(C(F)(F)F)nc2c1C=CCN2
InChIInChI=1S/C8H8F3N3.C2H6/c1-14-5-3-2-4-12-6(5)13-7(14)8(9,10)11;1-2/h2-3,12H,4H2,1H3;1-2H3
InChIKeyHRCVVXJLDZZYAU-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.90
Rot. Bonds

About ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine

ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine (PubChem CID 142222860) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Nameethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
PubChem CID142222860
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Nameethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
SMILESCC.Cn1c(C(F)(F)F)nc2c1C=CCN2
InChIInChI=1S/C8H8F3N3.C2H6/c1-14-5-3-2-4-12-6(5)13-7(14)8(9,10)11;1-2/h2-3,12H,4H2,1H3;1-2H3
InChIKeyHRCVVXJLDZZYAU-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine (CID 142222860) is ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine is CC.Cn1c(C(F)(F)F)nc2c1C=CCN2.
What is the InChIKey of ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
The InChIKey is HRCVVXJLDZZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3.C2H6/c1-14-5-3-2-4-12-6(5)13-7(14)8(9,10)11;1-2/h2-3,12H,4H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine has a molecular weight of 233.24 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 142222860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).