methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate

C12H13N3O2 — CID 71202553

IUPACmethyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate
SMILESCOC(=O)Cc1cn(-c2cccc(C)n2)cn1
InChIInChI=1S/C12H13N3O2/c1-9-4-3-5-11(14-9)15-7-10(13-8-15)6-12(16)17-2/h3-5,7-8H,6H2,1-2H3
InChIKeySLVXCQOHTBTDHK-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate

methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate (PubChem CID 71202553) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate
PubChem CID71202553
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namemethyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate
SMILESCOC(=O)Cc1cn(-c2cccc(C)n2)cn1
InChIInChI=1S/C12H13N3O2/c1-9-4-3-5-11(14-9)15-7-10(13-8-15)6-12(16)17-2/h3-5,7-8H,6H2,1-2H3
InChIKeySLVXCQOHTBTDHK-UHFFFAOYSA-N
XLogP1.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate?
The IUPAC name of methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate (CID 71202553) is methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate is COC(=O)Cc1cn(-c2cccc(C)n2)cn1.
What is the InChIKey of methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate?
The InChIKey is SLVXCQOHTBTDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-4-3-5-11(14-9)15-7-10(13-8-15)6-12(16)17-2/h3-5,7-8H,6H2,1-2H3.
What are the key properties of methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate?
methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate has a molecular weight of 231.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate is sourced from PubChem (CID 71202553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).