4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C10H3Cl3F3N3O — CID 1489609

IUPAC4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl3F3N3O/c11-5-1-4(10(14,15)16)2-17-8(5)19-9(20)7(13)6(12)3-18-19/h1-3H
InChIKeyPZMQUCPMWBBHBH-UHFFFAOYSA-N
MW344.51 g/mol
LogP3.61
Rot. Bonds1

About 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 1489609) has the molecular formula C10H3Cl3F3N3O and a molecular weight of 344.51 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID1489609
Molecular FormulaC10H3Cl3F3N3O
Molecular Weight344.51 g/mol
Exact Mass342.93
IUPAC Name4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl3F3N3O/c11-5-1-4(10(14,15)16)2-17-8(5)19-9(20)7(13)6(12)3-18-19/h1-3H
InChIKeyPZMQUCPMWBBHBH-UHFFFAOYSA-N
XLogP3.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 1489609) is 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is PZMQUCPMWBBHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3F3N3O/c11-5-1-4(10(14,15)16)2-17-8(5)19-9(20)7(13)6(12)3-18-19/h1-3H.
What are the key properties of 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 344.51 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 1489609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).