methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate

C11H11N3O2 — CID 86591825

IUPACmethyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(-c2cccnc2)c1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)7-14-6-10(13-8-14)9-3-2-4-12-5-9/h2-6,8H,7H2,1H3
InChIKeyPVKNLJKHRJWJBI-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.12
Rot. Bonds3

About methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate

methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate (PubChem CID 86591825) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
PubChem CID86591825
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(-c2cccnc2)c1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)7-14-6-10(13-8-14)9-3-2-4-12-5-9/h2-6,8H,7H2,1H3
InChIKeyPVKNLJKHRJWJBI-UHFFFAOYSA-N
XLogP1.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
CID 44604866
3-(1-butylimidazol-4-yl)pyridine
CID 58668046
3-[1-(2-chloroethyl)imidazol-4-yl]pyridine
CID 22715654
4-(4-pyridin-3-ylimidazol-1-yl)butan-1-amine;trihydrochloride
CID 44604268
O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine
CID 174376686
3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine
CID 139311770
methyl 2-(3-phenylpyrrol-1-yl)acetate
CID 66914822
methyl 2-(4-aminoimidazol-1-yl)acetate
CID 11789438
methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate
CID 116975760
N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177935
4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid
CID 23511434
2-(3-pyridin-3-yl-1,2,4-triazol-1-yl)acetic acid
CID 82282721

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate (CID 86591825) is methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate is COC(=O)Cn1cnc(-c2cccnc2)c1.
What is the InChIKey of methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate?
The InChIKey is PVKNLJKHRJWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)7-14-6-10(13-8-14)9-3-2-4-12-5-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate?
methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate has a molecular weight of 217.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate is sourced from PubChem (CID 86591825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).