trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C8H8F3N3O2 — CID 142926418

IUPACtrifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OC(F)(F)F)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)16-7(15)14-2-1-5-6(3-14)13-4-12-5/h4H,1-3H2,(H,12,13)
InChIKeyWKGISSYTQMKOKA-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.42
Rot. Bonds

About trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 142926418) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID142926418
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Nametrifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESO=C(OC(F)(F)F)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)16-7(15)14-2-1-5-6(3-14)13-4-12-5/h4H,1-3H2,(H,12,13)
InChIKeyWKGISSYTQMKOKA-UHFFFAOYSA-N
XLogP1.42
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
cyclohexylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803093
2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 110712795
(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
2,2,4,4-tetramethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pentan-1-one
CID 143098139
2-(2-hydroxyphenyl)ethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142022577
naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803031
trifluoromethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 153306399
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169164728
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
2-methoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 138027459

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 142926418) is trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is O=C(OC(F)(F)F)N1CCc2nc[nH]c2C1.
What is the InChIKey of trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is WKGISSYTQMKOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)16-7(15)14-2-1-5-6(3-14)13-4-12-5/h4H,1-3H2,(H,12,13).
What are the key properties of trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 142926418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).