2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid

C13H11ClN2O3 — CID 82419701

IUPAC2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
SMILESCc1cc(=O)c(CC(=O)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-8-5-12(17)11(7-13(18)19)15-16(8)10-4-2-3-9(14)6-10/h2-6H,7H2,1H3,(H,18,19)
InChIKeyLFBCFAHQVUVLQY-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.82
Rot. Bonds3

About 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid

2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid (PubChem CID 82419701) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
PubChem CID82419701
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
SMILESCc1cc(=O)c(CC(=O)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-8-5-12(17)11(7-13(18)19)15-16(8)10-4-2-3-9(14)6-10/h2-6H,7H2,1H3,(H,18,19)
InChIKeyLFBCFAHQVUVLQY-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]acetic acid
CID 82421430
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815
3-[(butan-2-ylamino)methyl]-1-(3-chlorophenyl)-6-methylpyridazin-4-one
CID 82419695
1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
CID 82419687
2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419241
2-[1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82420431
3-[1-(3-methoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
CID 82421053
1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 111698157
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
CID 144722920
N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9086701
1-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]propan-2-one
CID 82133166
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid (CID 82419701) is 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid is Cc1cc(=O)c(CC(=O)O)nn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
The InChIKey is LFBCFAHQVUVLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-5-12(17)11(7-13(18)19)15-16(8)10-4-2-3-9(14)6-10/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid has a molecular weight of 278.69 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid is sourced from PubChem (CID 82419701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).