3-chloro-6-[(2-methylphenyl)methyl]pyridazine

C12H11ClN2 — CID 6404653

IUPAC3-chloro-6-[(2-methylphenyl)methyl]pyridazine
SMILESCc1ccccc1Cc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2/c1-9-4-2-3-5-10(9)8-11-6-7-12(13)15-14-11/h2-7H,8H2,1H3
InChIKeyDXHDOCNDNWKHFE-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.03
Rot. Bonds2

About 3-chloro-6-[(2-methylphenyl)methyl]pyridazine

3-chloro-6-[(2-methylphenyl)methyl]pyridazine (PubChem CID 6404653) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 3-chloro-6-[(2-methylphenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-methylphenyl)methyl]pyridazine
PubChem CID6404653
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name3-chloro-6-[(2-methylphenyl)methyl]pyridazine
SMILESCc1ccccc1Cc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2/c1-9-4-2-3-5-10(9)8-11-6-7-12(13)15-14-11/h2-7H,8H2,1H3
InChIKeyDXHDOCNDNWKHFE-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-methylphenyl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-methylphenyl)methyl]pyridazine (CID 6404653) is 3-chloro-6-[(2-methylphenyl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-methylphenyl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-methylphenyl)methyl]pyridazine is Cc1ccccc1Cc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2-methylphenyl)methyl]pyridazine?
The InChIKey is DXHDOCNDNWKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-4-2-3-5-10(9)8-11-6-7-12(13)15-14-11/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-6-[(2-methylphenyl)methyl]pyridazine?
3-chloro-6-[(2-methylphenyl)methyl]pyridazine has a molecular weight of 218.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-methylphenyl)methyl]pyridazine is sourced from PubChem (CID 6404653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).