methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate

C10H8BrN3O2 — CID 91048260

IUPACmethyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C10H8BrN3O2/c1-16-10(15)8-5-13-9(14-8)7-3-2-6(11)4-12-7/h2-5H,1H3,(H,13,14)
InChIKeyNQYWFHRJQFDKER-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.02
Rot. Bonds2

About methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate

methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate (PubChem CID 91048260) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
PubChem CID91048260
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Namemethyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C10H8BrN3O2/c1-16-10(15)8-5-13-9(14-8)7-3-2-6(11)4-12-7/h2-5H,1H3,(H,13,14)
InChIKeyNQYWFHRJQFDKER-UHFFFAOYSA-N
XLogP2.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate (CID 91048260) is methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(Br)cn2)[nH]1.
What is the InChIKey of methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate?
The InChIKey is NQYWFHRJQFDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-16-10(15)8-5-13-9(14-8)7-3-2-6(11)4-12-7/h2-5H,1H3,(H,13,14).
What are the key properties of methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate?
methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate has a molecular weight of 282.10 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 91048260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).