6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid

C10H7ClN2O4 — CID 117127608

IUPAC6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)o2)cc(C(=O)O)c1=O
InChIInChI=1S/C10H7ClN2O4/c1-13-9(14)5(10(15)16)4-6(12-13)7-2-3-8(11)17-7/h2-4H,1H3,(H,15,16)
InChIKeyYMUBFKAYJNSQIC-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.39
Rot. Bonds2

About 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid

6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 117127608) has the molecular formula C10H7ClN2O4 and a molecular weight of 254.63 g/mol. Its IUPAC name is 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid
PubChem CID117127608
Molecular FormulaC10H7ClN2O4
Molecular Weight254.63 g/mol
Exact Mass254.01
IUPAC Name6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)o2)cc(C(=O)O)c1=O
InChIInChI=1S/C10H7ClN2O4/c1-13-9(14)5(10(15)16)4-6(12-13)7-2-3-8(11)17-7/h2-4H,1H3,(H,15,16)
InChIKeyYMUBFKAYJNSQIC-UHFFFAOYSA-N
XLogP1.39
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137147
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127210
1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone
CID 115092922
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
CID 106988492
2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid
CID 10244792
methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate
CID 90869704
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid (CID 117127608) is 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid is Cn1nc(-c2ccc(Cl)o2)cc(C(=O)O)c1=O.
What is the InChIKey of 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is YMUBFKAYJNSQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4/c1-13-9(14)5(10(15)16)4-6(12-13)7-2-3-8(11)17-7/h2-4H,1H3,(H,15,16).
What are the key properties of 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid?
6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 254.63 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorofuran-2-yl)-2-methyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 117127608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).