6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one

C10H5ClF2N2O2 — CID 23013934

IUPAC6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one
SMILESO=c1cc(Cl)[nH]nc1Oc1cccc(F)c1F
InChIInChI=1S/C10H5ClF2N2O2/c11-8-4-6(16)10(15-14-8)17-7-3-1-2-5(12)9(7)13/h1-4H,(H,14,16)
InChIKeyVDOSZHZGWHLKBP-UHFFFAOYSA-N
MW258.61 g/mol
LogP2.49
Rot. Bonds2

About 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one

6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one (PubChem CID 23013934) has the molecular formula C10H5ClF2N2O2 and a molecular weight of 258.61 g/mol. Its IUPAC name is 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one
PubChem CID23013934
Molecular FormulaC10H5ClF2N2O2
Molecular Weight258.61 g/mol
Exact Mass258.00
IUPAC Name6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one
SMILESO=c1cc(Cl)[nH]nc1Oc1cccc(F)c1F
InChIInChI=1S/C10H5ClF2N2O2/c11-8-4-6(16)10(15-14-8)17-7-3-1-2-5(12)9(7)13/h1-4H,(H,14,16)
InChIKeyVDOSZHZGWHLKBP-UHFFFAOYSA-N
XLogP2.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.61
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one?
The IUPAC name of 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one (CID 23013934) is 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one?
The canonical SMILES for 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one is O=c1cc(Cl)[nH]nc1Oc1cccc(F)c1F.
What is the InChIKey of 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one?
The InChIKey is VDOSZHZGWHLKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O2/c11-8-4-6(16)10(15-14-8)17-7-3-1-2-5(12)9(7)13/h1-4H,(H,14,16).
What are the key properties of 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one?
6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one has a molecular weight of 258.61 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-difluorophenoxy)-1H-pyridazin-4-one is sourced from PubChem (CID 23013934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).