4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde

C12H9ClN2O2 — CID 86704932

IUPAC4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde
SMILESCn1nc(Cl)c(-c2ccc(C=O)cc2)cc1=O
InChIInChI=1S/C12H9ClN2O2/c1-15-11(17)6-10(12(13)14-15)9-4-2-8(7-16)3-5-9/h2-7H,1H3
InChIKeyQEENQBQGMJSHIB-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.91
Rot. Bonds2

About 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde

4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde (PubChem CID 86704932) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde
PubChem CID86704932
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde
SMILESCn1nc(Cl)c(-c2ccc(C=O)cc2)cc1=O
InChIInChI=1S/C12H9ClN2O2/c1-15-11(17)6-10(12(13)14-15)9-4-2-8(7-16)3-5-9/h2-7H,1H3
InChIKeyQEENQBQGMJSHIB-UHFFFAOYSA-N
XLogP1.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-3-fluoro-4-pyridinyl)benzaldehyde
CID 164893122
4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
CID 157022221
4-(2,5-dichlorothiophen-3-yl)benzaldehyde
CID 125491605
5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one
CID 56946413
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
4-(7-chloro-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzaldehyde
CID 20528394
4-[4,9,10-tris(4-formylphenyl)perylen-3-yl]benzaldehyde
CID 170691767
4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde
CID 89059488
3-chloro-5-fluoro-1-methylpyrazole-4-carbaldehyde
CID 130286691
4-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chlorobenzaldehyde
CID 114076972
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
CID 157022258

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde?
The IUPAC name of 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde (CID 86704932) is 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde.
What is the SMILES notation for 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde?
The canonical SMILES for 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde is Cn1nc(Cl)c(-c2ccc(C=O)cc2)cc1=O.
What is the InChIKey of 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde?
The InChIKey is QEENQBQGMJSHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-15-11(17)6-10(12(13)14-15)9-4-2-8(7-16)3-5-9/h2-7H,1H3.
What are the key properties of 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde?
4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde has a molecular weight of 248.67 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde is sourced from PubChem (CID 86704932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).