methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

C14H16BrN3O3 — CID 13250604

IUPACmethyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C14H16BrN3O3/c1-7(2)14(3)13(20)17-11(18-14)10-9(12(19)21-4)5-8(15)6-16-10/h5-7H,1-4H3,(H,17,18,20)
InChIKeyGADJRCNOBQMUNK-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.92
Rot. Bonds3

About methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (PubChem CID 13250604) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
PubChem CID13250604
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Namemethyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cnc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C14H16BrN3O3/c1-7(2)14(3)13(20)17-11(18-14)10-9(12(19)21-4)5-8(15)6-16-10/h5-7H,1-4H3,(H,17,18,20)
InChIKeyGADJRCNOBQMUNK-UHFFFAOYSA-N
XLogP1.92
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate with MolForge

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Related Compounds

Imazamox
CID 86137
Imazapyr
CID 54738
Imazapic
CID 91770
Imazethapyr
CID 54740
Imazapyr-isopropylammonium
CID 62286
Imazapic-ammonium
CID 18772439
5-Carboxy Imazapyr
CID 132585357
sodium 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 23674359
R-(-)-Imazethapyr
CID 6999124
S-(+)-Imazethapyr
CID 7020450
Methyl 6-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyridine-3-carboxylate
CID 137129866
Imazethapyr-ammonium
CID 175888

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (CID 13250604) is methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1C1=NC(C)(C(C)C)C(=O)N1.
What is the InChIKey of methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The InChIKey is GADJRCNOBQMUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-7(2)14(3)13(20)17-11(18-14)10-9(12(19)21-4)5-8(15)6-16-10/h5-7H,1-4H3,(H,17,18,20).
What are the key properties of methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate has a molecular weight of 354.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 13250604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).