ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate

C11H11ClN4O2 — CID 103094737

IUPACethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2ncccc2Cl)c1N
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-9(13)16(6-15-8)10-7(12)4-3-5-14-10/h3-6H,2,13H2,1H3
InChIKeyCQHCROOZTCDVGF-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.68
Rot. Bonds3

About ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate

ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate (PubChem CID 103094737) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
PubChem CID103094737
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Nameethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2ncccc2Cl)c1N
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-9(13)16(6-15-8)10-7(12)4-3-5-14-10/h3-6H,2,13H2,1H3
InChIKeyCQHCROOZTCDVGF-UHFFFAOYSA-N
XLogP1.68
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 58591624
ethyl 5-amino-1-(3,5-dichloro-4-fluorophenyl)imidazole-4-carboxylate
CID 107577886
ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate
CID 107531101
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 3-bromo-1-(3-chloro-2-pyridinyl)-5-methylpyrazole-4-carboxylate
CID 155213094
methyl 5-amino-1-(3-chloro-2-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103546323
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 1-(3-chloro-2-pyridinyl)-3-propylpyrazole-5-carboxylate
CID 70831964
ethyl 8-chloroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920993
ethyl 5-amino-1-[(3-chlorophenyl)methyl]imidazole-4-carboxylate
CID 55086211
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate (CID 103094737) is ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate is CCOC(=O)c1ncn(-c2ncccc2Cl)c1N.
What is the InChIKey of ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate?
The InChIKey is CQHCROOZTCDVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-9(13)16(6-15-8)10-7(12)4-3-5-14-10/h3-6H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate?
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate has a molecular weight of 266.69 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate is sourced from PubChem (CID 103094737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).