2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine

C7H6F3N3 — CID 142222949

IUPAC2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2c([nH]1)C=CCN2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-2,11H,3H2,(H,12,13)
InChIKeyCQCYVWREJJPVNP-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.87
Rot. Bonds

About 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine

2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine (PubChem CID 142222949) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine
PubChem CID142222949
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2c([nH]1)C=CCN2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-2,11H,3H2,(H,12,13)
InChIKeyCQCYVWREJJPVNP-UHFFFAOYSA-N
XLogP1.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole
CID 58435902
2-methyl-4-(trifluoromethyl)-5-vinyl-1H-imidazole
CID 86724375
2-Ethyl-5-(trifluoromethyl)-3,6-dihydrocyclohepta[d]imidazole
CID 123623836
4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole
CID 142004201
Ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
CID 142222860
ethane;2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine
CID 142222948
4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole
CID 143849037
4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole
CID 144710588
4-[(E)-1-fluorobut-1-enyl]-2,5-dimethyl-1H-imidazole
CID 145617029
2-fluoro-4-[(E)-1-fluoroprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-imidazole
CID 174337341
4,6-Difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium
CID 134843630
1-Methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
CID 142222861

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine (CID 142222949) is 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1nc2c([nH]1)C=CCN2.
What is the InChIKey of 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
The InChIKey is CQCYVWREJJPVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-2,11H,3H2,(H,12,13).
What are the key properties of 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine?
2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine has a molecular weight of 189.14 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5-dihydro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 142222949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).