6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one

C14H10ClN3O2 — CID 15707719

IUPAC6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one
SMILESCOc1ccc(-n2ccc3nnccc3c2=O)cc1Cl
InChIInChI=1S/C14H10ClN3O2/c1-20-13-3-2-9(8-11(13)15)18-7-5-12-10(14(18)19)4-6-16-17-12/h2-8H,1H3
InChIKeyONMIQBMTLVXYMQ-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.44
Rot. Bonds2

About 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one

6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one (PubChem CID 15707719) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one
PubChem CID15707719
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one
SMILESCOc1ccc(-n2ccc3nnccc3c2=O)cc1Cl
InChIInChI=1S/C14H10ClN3O2/c1-20-13-3-2-9(8-11(13)15)18-7-5-12-10(14(18)19)4-6-16-17-12/h2-8H,1H3
InChIKeyONMIQBMTLVXYMQ-UHFFFAOYSA-N
XLogP2.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one (CID 15707719) is 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one is COc1ccc(-n2ccc3nnccc3c2=O)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
The InChIKey is ONMIQBMTLVXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-20-13-3-2-9(8-11(13)15)18-7-5-12-10(14(18)19)4-6-16-17-12/h2-8H,1H3.
What are the key properties of 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one?
6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one has a molecular weight of 287.71 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)pyrido[4,3-c]pyridazin-5-one is sourced from PubChem (CID 15707719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).