methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate

C11H11N3O2 — CID 24828316

IUPACmethyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1Cc1cccnc1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)10-6-13-8-14(10)7-9-3-2-4-12-5-9/h2-6,8H,7H2,1H3
InChIKeyHRSQZPAMZQWTFI-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.11
Rot. Bonds3

About methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate

methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate (PubChem CID 24828316) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
PubChem CID24828316
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1Cc1cccnc1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)10-6-13-8-14(10)7-9-3-2-4-12-5-9/h2-6,8H,7H2,1H3
InChIKeyHRSQZPAMZQWTFI-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 104952077
3-benzylimidazole-4-carboxylic acid;hydrochloride
CID 140831521
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 1-(pyridin-3-ylmethyl)-2H-pyridine-5-carboxylate
CID 141118704
methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate
CID 169187998
methyl 2-amino-3-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]propanoate
CID 170884380
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
methyl 5-(2-pyridin-3-ylethyl)pyrimidine-2-carboxylate
CID 162753381
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-[2-(3-iodophenyl)-2-oxoethyl]imidazole-4-carboxylate
CID 155340981
methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80572026
(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate (CID 24828316) is methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate is COC(=O)c1cncn1Cc1cccnc1.
What is the InChIKey of methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate?
The InChIKey is HRSQZPAMZQWTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)10-6-13-8-14(10)7-9-3-2-4-12-5-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate?
methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate is sourced from PubChem (CID 24828316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).