ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate

C11H9Cl2N3O2 — CID 15069644

IUPACethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H9Cl2N3O2/c1-2-18-11(17)9-5-16(6-15-9)10-8(13)3-7(12)4-14-10/h3-6H,2H2,1H3
InChIKeyWSBACHNNQADKSA-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.75
Rot. Bonds3

About ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate

ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate (PubChem CID 15069644) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
PubChem CID15069644
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Nameethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H9Cl2N3O2/c1-2-18-11(17)9-5-16(6-15-9)10-8(13)3-7(12)4-14-10/h3-6H,2H2,1H3
InChIKeyWSBACHNNQADKSA-UHFFFAOYSA-N
XLogP2.75
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321
CID 88893252
CID 88893252
ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 114203723
ethyl 1-(3-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 114203638
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
ethyl 1-(4-bromo-3-fluorophenyl)imidazole-4-carboxylate
CID 114203737
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 1-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-4-carboxylate
CID 114203701
3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine
CID 131020565

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate (CID 15069644) is ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ncc(Cl)cc2Cl)cn1.
What is the InChIKey of ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate?
The InChIKey is WSBACHNNQADKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-2-18-11(17)9-5-16(6-15-9)10-8(13)3-7(12)4-14-10/h3-6H,2H2,1H3.
What are the key properties of ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate?
ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate has a molecular weight of 286.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate is sourced from PubChem (CID 15069644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).