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

C12H15N3O3 — CID 144591561

IUPACethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCC.Cc1cn(-c2ccc(C(=O)O)[nH]c2=O)cn1
InChIInChI=1S/C10H9N3O3.C2H6/c1-6-4-13(5-11-6)8-3-2-7(10(15)16)12-9(8)14;1-2/h2-5H,1H3,(H,12,14)(H,15,16);1-2H3
InChIKeyUAPCAUVBSNNXAE-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.59
Rot. Bonds2

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

ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 144591561) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID144591561
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCC.Cc1cn(-c2ccc(C(=O)O)[nH]c2=O)cn1
InChIInChI=1S/C10H9N3O3.C2H6/c1-6-4-13(5-11-6)8-3-2-7(10(15)16)12-9(8)14;1-2/h2-5H,1H3,(H,12,14)(H,15,16);1-2H3
InChIKeyUAPCAUVBSNNXAE-UHFFFAOYSA-N
XLogP1.59
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide
CID 131731313
acetylene;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;methyl 6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxylate;phosphanylphosphane;hydrochloride
CID 158476369
6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874590
5-methyl-2-(4-methylimidazol-1-yl)phenol
CID 143857824
3-(4-methylimidazol-1-yl)benzoic acid
CID 82512349
7-(4-methylimidazol-1-yl)-2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 141392085
[4-(4-methylimidazol-1-yl)phenyl]carbamic acid
CID 149149751
methyl 4-(4-methylimidazol-1-yl)naphthalene-1-carboxylate
CID 174719028
2-[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 66961255
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
1-(4-chloro-2-ethylphenyl)-4-methylimidazole
CID 146396670
(E)-2-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 66838905

Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 144591561) is ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid is CC.Cc1cn(-c2ccc(C(=O)O)[nH]c2=O)cn1.
What is the InChIKey of ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is UAPCAUVBSNNXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3.C2H6/c1-6-4-13(5-11-6)8-3-2-7(10(15)16)12-9(8)14;1-2/h2-5H,1H3,(H,12,14)(H,15,16);1-2H3.
What are the key properties of ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid?
ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 144591561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).