4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde

C12H10N2O3 — CID 136954894

IUPAC4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde
SMILESCOc1cnnc(-c2cc(C=O)ccc2O)c1
InChIInChI=1S/C12H10N2O3/c1-17-9-5-11(14-13-6-9)10-4-8(7-15)2-3-12(10)16/h2-7,16H,1H3
InChIKeyPRTXMBXCCJELRC-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.67
Rot. Bonds3

About 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde

4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde (PubChem CID 136954894) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde
PubChem CID136954894
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde
SMILESCOc1cnnc(-c2cc(C=O)ccc2O)c1
InChIInChI=1S/C12H10N2O3/c1-17-9-5-11(14-13-6-9)10-4-8(7-15)2-3-12(10)16/h2-7,16H,1H3
InChIKeyPRTXMBXCCJELRC-UHFFFAOYSA-N
XLogP1.67
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
CID 136954896
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
CID 130345281
CID 130345281
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde (CID 136954894) is 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde is COc1cnnc(-c2cc(C=O)ccc2O)c1.
What is the InChIKey of 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde?
The InChIKey is PRTXMBXCCJELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-9-5-11(14-13-6-9)10-4-8(7-15)2-3-12(10)16/h2-7,16H,1H3.
What are the key properties of 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde?
4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde has a molecular weight of 230.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde is sourced from PubChem (CID 136954894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).