3,6-bis(chloromethyl)-4-phenylpyridazine

C12H10Cl2N2 — CID 71493199

IUPAC3,6-bis(chloromethyl)-4-phenylpyridazine
SMILESClCc1cc(-c2ccccc2)c(CCl)nn1
InChIInChI=1S/C12H10Cl2N2/c13-7-10-6-11(12(8-14)16-15-10)9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyOQWBWYLERUQGRQ-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.62
Rot. Bonds3

About 3,6-bis(chloromethyl)-4-phenylpyridazine

3,6-bis(chloromethyl)-4-phenylpyridazine (PubChem CID 71493199) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 3,6-bis(chloromethyl)-4-phenylpyridazine.

Molecular Properties

Compound Name3,6-bis(chloromethyl)-4-phenylpyridazine
PubChem CID71493199
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name3,6-bis(chloromethyl)-4-phenylpyridazine
SMILESClCc1cc(-c2ccccc2)c(CCl)nn1
InChIInChI=1S/C12H10Cl2N2/c13-7-10-6-11(12(8-14)16-15-10)9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyOQWBWYLERUQGRQ-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-phenylquinoline
CID 70386210
5-chloro-2-(chloromethyl)-4-phenylpyridine
CID 131531903
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
2-(chloromethyl)-4-fluoro-5-phenylpyridine
CID 131521075
3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine
CID 71493366
6-(chloromethyl)-3-phenylpyridin-2-amine
CID 119015084
6-ethyl-N-methyl-5-phenylpyridazin-3-amine
CID 79008561
5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole
CID 139072612
2-(chloromethyl)azulene
CID 58786145
3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
CID 61268607
2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine
CID 54458284
2-(chloromethyl)-5-phenylpyrazine
CID 19769444

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(chloromethyl)-4-phenylpyridazine?
The IUPAC name of 3,6-bis(chloromethyl)-4-phenylpyridazine (CID 71493199) is 3,6-bis(chloromethyl)-4-phenylpyridazine.
What is the SMILES notation for 3,6-bis(chloromethyl)-4-phenylpyridazine?
The canonical SMILES for 3,6-bis(chloromethyl)-4-phenylpyridazine is ClCc1cc(-c2ccccc2)c(CCl)nn1.
What is the InChIKey of 3,6-bis(chloromethyl)-4-phenylpyridazine?
The InChIKey is OQWBWYLERUQGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-7-10-6-11(12(8-14)16-15-10)9-4-2-1-3-5-9/h1-6H,7-8H2.
What are the key properties of 3,6-bis(chloromethyl)-4-phenylpyridazine?
3,6-bis(chloromethyl)-4-phenylpyridazine has a molecular weight of 253.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(chloromethyl)-4-phenylpyridazine is sourced from PubChem (CID 71493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).