3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde

C13H12ClN3O2 — CID 121245197

IUPAC3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde
SMILESCOc1ccc(CNc2cc(C=O)c(Cl)nn2)cc1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-2-9(3-5-11)7-15-12-6-10(8-18)13(14)17-16-12/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyIOFHQQVQETXBIR-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.56
Rot. Bonds5

About 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde

3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde (PubChem CID 121245197) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde
PubChem CID121245197
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde
SMILESCOc1ccc(CNc2cc(C=O)c(Cl)nn2)cc1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-2-9(3-5-11)7-15-12-6-10(8-18)13(14)17-16-12/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyIOFHQQVQETXBIR-UHFFFAOYSA-N
XLogP2.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.56
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

5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
1-[4-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-ethylpyrazole-4-carbaldehyde
CID 18520504
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
CID 82463263
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine
CID 87569694
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
CID 113041805
2-chloro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 142587231
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde?
The IUPAC name of 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde (CID 121245197) is 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde?
The canonical SMILES for 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde is COc1ccc(CNc2cc(C=O)c(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde?
The InChIKey is IOFHQQVQETXBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-11-4-2-9(3-5-11)7-15-12-6-10(8-18)13(14)17-16-12/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde?
3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde has a molecular weight of 277.71 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde is sourced from PubChem (CID 121245197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).