5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid

C11H9N3O3 — CID 58072535

IUPAC5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
SMILESCc1cn(-c2cccnc2)nc(C(=O)O)c1=O
InChIInChI=1S/C11H9N3O3/c1-7-6-14(8-3-2-4-12-5-8)13-9(10(7)15)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyPXTCSEXFNIDNLH-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.63
Rot. Bonds2

About 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid

5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid (PubChem CID 58072535) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
PubChem CID58072535
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
SMILESCc1cn(-c2cccnc2)nc(C(=O)O)c1=O
InChIInChI=1S/C11H9N3O3/c1-7-6-14(8-3-2-4-12-5-8)13-9(10(7)15)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyPXTCSEXFNIDNLH-UHFFFAOYSA-N
XLogP0.63
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 58072379
1-(3-chloro-4-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63952624
3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
CID 59436177
4-imino-5-methoxy-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 163714827
5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
CID 63952218
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
CID 158876961
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
5-methyl-1-(2-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63981948
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
1-(2,5-dichloro-4-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 104728390

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid (CID 58072535) is 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid is Cc1cn(-c2cccnc2)nc(C(=O)O)c1=O.
What is the InChIKey of 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid?
The InChIKey is PXTCSEXFNIDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-7-6-14(8-3-2-4-12-5-8)13-9(10(7)15)11(16)17/h2-6H,1H3,(H,16,17).
What are the key properties of 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid?
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid is sourced from PubChem (CID 58072535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).