ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate

C12H17N3O2 — CID 91082689

IUPACethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
SMILESCC.CCOC(=O)Cc1nc2ncccc2[nH]1
InChIInChI=1S/C10H11N3O2.C2H6/c1-2-15-9(14)6-8-12-7-4-3-5-11-10(7)13-8;1-2/h3-5H,2,6H2,1H3,(H,11,12,13);1-2H3
InChIKeyBUNDTHQOTCONHG-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.09
Rot. Bonds3

About ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate

ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate (PubChem CID 91082689) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
PubChem CID91082689
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
SMILESCC.CCOC(=O)Cc1nc2ncccc2[nH]1
InChIInChI=1S/C10H11N3O2.C2H6/c1-2-15-9(14)6-8-12-7-4-3-5-11-10(7)13-8;1-2/h3-5H,2,6H2,1H3,(H,11,12,13);1-2H3
InChIKeyBUNDTHQOTCONHG-UHFFFAOYSA-N
XLogP2.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 79474241
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate
CID 100736274
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
ethyl 2-quinolin-8-ylacetate
CID 52562898
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate
CID 140992104
butyl 1H-imidazo[4,5-b]pyridin-2-ylmethanesulfonate
CID 141123790
5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155366063
ethyl 2-[7-[(3-bromo-4-fluorophenyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]acetate
CID 122686938
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
CID 45357286

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate?
The IUPAC name of ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate (CID 91082689) is ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate.
What is the SMILES notation for ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate?
The canonical SMILES for ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate is CC.CCOC(=O)Cc1nc2ncccc2[nH]1.
What is the InChIKey of ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate?
The InChIKey is BUNDTHQOTCONHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C2H6/c1-2-15-9(14)6-8-12-7-4-3-5-11-10(7)13-8;1-2/h3-5H,2,6H2,1H3,(H,11,12,13);1-2H3.
What are the key properties of ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate?
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate has a molecular weight of 235.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate is sourced from PubChem (CID 91082689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).