4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one

C13H11Cl2F3N4O2 — CID 1471393

IUPAC4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
SMILESCN(CCO)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)c1Cl
InChIInChI=1S/C13H11Cl2F3N4O2/c1-21(2-3-23)9-6-20-22(12(24)10(9)15)11-8(14)4-7(5-19-11)13(16,17)18/h4-6,23H,2-3H2,1H3
InChIKeyVEGZQRFQYOFODW-UHFFFAOYSA-N
MW383.16 g/mol
LogP2.38
Rot. Bonds4

About 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one

4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 1471393) has the molecular formula C13H11Cl2F3N4O2 and a molecular weight of 383.16 g/mol. Its IUPAC name is 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
PubChem CID1471393
Molecular FormulaC13H11Cl2F3N4O2
Molecular Weight383.16 g/mol
Exact Mass382.02
IUPAC Name4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
SMILESCN(CCO)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)c1Cl
InChIInChI=1S/C13H11Cl2F3N4O2/c1-21(2-3-23)9-6-20-22(12(24)10(9)15)11-8(14)4-7(5-19-11)13(16,17)18/h4-6,23H,2-3H2,1H3
InChIKeyVEGZQRFQYOFODW-UHFFFAOYSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.16
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one (CID 1471393) is 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one is CN(CCO)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is VEGZQRFQYOFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N4O2/c1-21(2-3-23)9-6-20-22(12(24)10(9)15)11-8(14)4-7(5-19-11)13(16,17)18/h4-6,23H,2-3H2,1H3.
What are the key properties of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one?
4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 383.16 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 1471393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).