5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide

C10H10BrN3O3 — CID 131731313

IUPAC5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide
SMILESBr.Cc1cn(-c2ccc(C(=O)O)[nH]c2=O)cn1
InChIInChI=1S/C10H9N3O3.BrH/c1-6-4-13(5-11-6)8-3-2-7(10(15)16)12-9(8)14;/h2-5H,1H3,(H,12,14)(H,15,16);1H
InChIKeyBXVWYTCSWRBYRK-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.15
Rot. Bonds2

About 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide

5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide (PubChem CID 131731313) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide
PubChem CID131731313
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide
SMILESBr.Cc1cn(-c2ccc(C(=O)O)[nH]c2=O)cn1
InChIInChI=1S/C10H9N3O3.BrH/c1-6-4-13(5-11-6)8-3-2-7(10(15)16)12-9(8)14;/h2-5H,1H3,(H,12,14)(H,15,16);1H
InChIKeyBXVWYTCSWRBYRK-UHFFFAOYSA-N
XLogP1.15
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide?
The IUPAC name of 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide (CID 131731313) is 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide.
What is the SMILES notation for 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide?
The canonical SMILES for 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide is Br.Cc1cn(-c2ccc(C(=O)O)[nH]c2=O)cn1.
What is the InChIKey of 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide?
The InChIKey is BXVWYTCSWRBYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3.BrH/c1-6-4-13(5-11-6)8-3-2-7(10(15)16)12-9(8)14;/h2-5H,1H3,(H,12,14)(H,15,16);1H.
What are the key properties of 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide?
5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide has a molecular weight of 300.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide is sourced from PubChem (CID 131731313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).