4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde

C12H9ClN2O2 — CID 157022258

IUPAC4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
SMILESCOc1cc(-c2ccc(C=O)cc2)nnc1Cl
InChIInChI=1S/C12H9ClN2O2/c1-17-11-6-10(14-15-12(11)13)9-4-2-8(7-16)3-5-9/h2-7H,1H3
InChIKeyGUUOSFNGEUJCQE-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.62
Rot. Bonds3

About 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde

4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde (PubChem CID 157022258) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
PubChem CID157022258
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
SMILESCOc1cc(-c2ccc(C=O)cc2)nnc1Cl
InChIInChI=1S/C12H9ClN2O2/c1-17-11-6-10(14-15-12(11)13)9-4-2-8(7-16)3-5-9/h2-7H,1H3
InChIKeyGUUOSFNGEUJCQE-UHFFFAOYSA-N
XLogP2.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.62
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-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
CID 82294072
4-(2-methoxy-6-methylpyrimidin-4-yl)benzaldehyde
CID 105485419
4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
CID 157022323
3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
CID 45118060
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761406
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-(4-chloro-3-methoxyphenyl)-3-methylbenzaldehyde
CID 81447221
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
CID 83663000
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde?
The IUPAC name of 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde (CID 157022258) is 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde.
What is the SMILES notation for 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde?
The canonical SMILES for 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde is COc1cc(-c2ccc(C=O)cc2)nnc1Cl.
What is the InChIKey of 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde?
The InChIKey is GUUOSFNGEUJCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-17-11-6-10(14-15-12(11)13)9-4-2-8(7-16)3-5-9/h2-7H,1H3.
What are the key properties of 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde?
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde has a molecular weight of 248.67 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde is sourced from PubChem (CID 157022258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).