2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one

C16H11ClF2N4O2 — CID 148770976

IUPAC2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cncc(Cl)c1
InChIInChI=1S/C16H11ClF2N4O2/c17-12-5-10(6-20-8-12)9-23-15(24)4-2-13(22-23)11-1-3-14(21-7-11)25-16(18)19/h1-8,16H,9H2
InChIKeyOIJXTNAVYFNYQU-UHFFFAOYSA-N
MW364.74 g/mol
LogP3.00
Rot. Bonds5

About 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one

2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one (PubChem CID 148770976) has the molecular formula C16H11ClF2N4O2 and a molecular weight of 364.74 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one
PubChem CID148770976
Molecular FormulaC16H11ClF2N4O2
Molecular Weight364.74 g/mol
Exact Mass364.05
IUPAC Name2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cncc(Cl)c1
InChIInChI=1S/C16H11ClF2N4O2/c17-12-5-10(6-20-8-12)9-23-15(24)4-2-13(22-23)11-1-3-14(21-7-11)25-16(18)19/h1-8,16H,9H2
InChIKeyOIJXTNAVYFNYQU-UHFFFAOYSA-N
XLogP3.00
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one (CID 148770976) is 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one is O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one?
The InChIKey is OIJXTNAVYFNYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2/c17-12-5-10(6-20-8-12)9-23-15(24)4-2-13(22-23)11-1-3-14(21-7-11)25-16(18)19/h1-8,16H,9H2.
What are the key properties of 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one?
2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one has a molecular weight of 364.74 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)methyl]-6-[6-(difluoromethoxy)-3-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 148770976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).