3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine

C13H12Cl2N2 — CID 132587809

IUPAC3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)c(Cl)nn1
InChIInChI=1S/C13H12Cl2N2/c1-8(2)12-7-11(13(15)17-16-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyVNTLTWDSVKEXNJ-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.57
Rot. Bonds2

About 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine

3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine (PubChem CID 132587809) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine
PubChem CID132587809
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)c(Cl)nn1
InChIInChI=1S/C13H12Cl2N2/c1-8(2)12-7-11(13(15)17-16-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyVNTLTWDSVKEXNJ-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine?
The IUPAC name of 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine (CID 132587809) is 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine?
The canonical SMILES for 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine is CC(C)c1cc(-c2ccc(Cl)cc2)c(Cl)nn1.
What is the InChIKey of 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine?
The InChIKey is VNTLTWDSVKEXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8(2)12-7-11(13(15)17-16-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3.
What are the key properties of 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine?
3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine has a molecular weight of 267.16 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chlorophenyl)-6-propan-2-ylpyridazine is sourced from PubChem (CID 132587809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).