5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one

C14H9ClFN3O — CID 163923929

IUPAC5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one
SMILESCc1ccc2c(-c3c(F)cccc3Cl)c(=O)ncn2n1
InChIInChI=1S/C14H9ClFN3O/c1-8-5-6-11-13(14(20)17-7-19(11)18-8)12-9(15)3-2-4-10(12)16/h2-7H,1H3
InChIKeyKSFOQCHVWOFSCR-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.86
Rot. Bonds1

About 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one

5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one (PubChem CID 163923929) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one
PubChem CID163923929
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one
SMILESCc1ccc2c(-c3c(F)cccc3Cl)c(=O)ncn2n1
InChIInChI=1S/C14H9ClFN3O/c1-8-5-6-11-13(14(20)17-7-19(11)18-8)12-9(15)3-2-4-10(12)16/h2-7H,1H3
InChIKeyKSFOQCHVWOFSCR-UHFFFAOYSA-N
XLogP2.86
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one (CID 163923929) is 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one is Cc1ccc2c(-c3c(F)cccc3Cl)c(=O)ncn2n1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one?
The InChIKey is KSFOQCHVWOFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c1-8-5-6-11-13(14(20)17-7-19(11)18-8)12-9(15)3-2-4-10(12)16/h2-7H,1H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one?
5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one has a molecular weight of 289.70 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-2-methylpyrimido[1,6-b]pyridazin-6-one is sourced from PubChem (CID 163923929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).