methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate

C11H11N3O2 — CID 2764064

IUPACmethyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(C)n2)cn1
InChIInChI=1S/C11H11N3O2/c1-8-4-3-5-10(13-8)14-6-9(12-7-14)11(15)16-2/h3-7H,1-2H3
InChIKeyYGMATZMQQHWPSX-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.36
Rot. Bonds2

About methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate

methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate (PubChem CID 2764064) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
PubChem CID2764064
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(C)n2)cn1
InChIInChI=1S/C11H11N3O2/c1-8-4-3-5-10(13-8)14-6-9(12-7-14)11(15)16-2/h3-7H,1-2H3
InChIKeyYGMATZMQQHWPSX-UHFFFAOYSA-N
XLogP1.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
The IUPAC name of methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate (CID 2764064) is methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate is COC(=O)c1cn(-c2cccc(C)n2)cn1.
What is the InChIKey of methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
The InChIKey is YGMATZMQQHWPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-4-3-5-10(13-8)14-6-9(12-7-14)11(15)16-2/h3-7H,1-2H3.
What are the key properties of methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate is sourced from PubChem (CID 2764064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).