4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one

C12H8Cl2N2O — CID 16751712

IUPAC4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1
InChIInChI=1S/C12H8Cl2N2O/c13-10-8-15-16(12(17)11(10)14)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKeyBGNRQDNVSBXOSQ-VOTSOKGWSA-N
MW267.12 g/mol
LogP3.18
Rot. Bonds2

About 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one

4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one (PubChem CID 16751712) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one
PubChem CID16751712
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1
InChIInChI=1S/C12H8Cl2N2O/c13-10-8-15-16(12(17)11(10)14)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKeyBGNRQDNVSBXOSQ-VOTSOKGWSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one (CID 16751712) is 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1.
What is the InChIKey of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one?
The InChIKey is BGNRQDNVSBXOSQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-10-8-15-16(12(17)11(10)14)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+.
What are the key properties of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one?
4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one has a molecular weight of 267.12 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one is sourced from PubChem (CID 16751712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).