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

C8H8F3N3 — CID 142222861

IUPAC1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
SMILESCn1c(C(F)(F)F)nc2c1C=CCN2
InChIInChI=1S/C8H8F3N3/c1-14-5-3-2-4-12-6(5)13-7(14)8(9,10)11/h2-3,12H,4H2,1H3
InChIKeyHLZVDERSZJYPHT-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.88
Rot. Bonds

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

1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine (PubChem CID 142222861) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
PubChem CID142222861
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
SMILESCn1c(C(F)(F)F)nc2c1C=CCN2
InChIInChI=1S/C8H8F3N3/c1-14-5-3-2-4-12-6(5)13-7(14)8(9,10)11/h2-3,12H,4H2,1H3
InChIKeyHLZVDERSZJYPHT-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine (CID 142222861) is 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine is Cn1c(C(F)(F)F)nc2c1C=CCN2.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
The InChIKey is HLZVDERSZJYPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c1-14-5-3-2-4-12-6(5)13-7(14)8(9,10)11/h2-3,12H,4H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine?
1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine has a molecular weight of 203.17 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 142222861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).