ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate

C10H8F3N3O2 — CID 131699523

IUPACethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2nc(C(F)(F)F)[nH]c2cn1
InChIInChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-3-5-7(4-14-6)16-9(15-5)10(11,12)13/h3-4H,2H2,1H3,(H,15,16)
InChIKeyFAGWAIQSAILVLT-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.15
Rot. Bonds2

About ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate

ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 131699523) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID131699523
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Nameethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2nc(C(F)(F)F)[nH]c2cn1
InChIInChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-3-5-7(4-14-6)16-9(15-5)10(11,12)13/h3-4H,2H2,1H3,(H,15,16)
InChIKeyFAGWAIQSAILVLT-UHFFFAOYSA-N
XLogP2.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
CID 157454103
ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 12043936
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028949
ethyl 3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxylate
CID 10062508
ethyl 6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 2809345
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
ethyl 6-bromo-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097887
ethyl 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;2,2,2-trifluoroacetic acid
CID 175875728
ethyl 4-bromo-5-(trifluoromethyl)-1H-imidazole-2-carboxylate
CID 164869396
2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 52942145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate (CID 131699523) is ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate is CCOC(=O)c1cc2nc(C(F)(F)F)[nH]c2cn1.
What is the InChIKey of ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is FAGWAIQSAILVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-3-5-7(4-14-6)16-9(15-5)10(11,12)13/h3-4H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate?
ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 259.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 131699523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).