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

C10H8F3N3O2 — CID 157454103

IUPACethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C(F)(F)F)nc2n1
InChIInChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-4-3-5-7(14-6)16-9(15-5)10(11,12)13/h3-4H,2H2,1H3,(H,14,15,16)
InChIKeyBTDLNXFWKCCBLF-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.15
Rot. Bonds2

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

ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 157454103) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
PubChem CID157454103
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Nameethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C(F)(F)F)nc2n1
InChIInChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-4-3-5-7(14-6)16-9(15-5)10(11,12)13/h3-4H,2H2,1H3,(H,14,15,16)
InChIKeyBTDLNXFWKCCBLF-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)-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 131699523
ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096834
5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 79815994
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
CID 66545150
ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441068
ethyl 6-(bromomethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441065
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79815424
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate (CID 157454103) is ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate is CCOC(=O)c1ccc2[nH]c(C(F)(F)F)nc2n1.
What is the InChIKey of ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is BTDLNXFWKCCBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-4-3-5-7(14-6)16-9(15-5)10(11,12)13/h3-4H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate?
ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-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)-1H-imidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 157454103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).