2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one

C15H16ClFN2O2 — CID 20715310

IUPAC2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(-c2cc(OC(C)C)c(Cl)cc2F)c(=O)c1C
InChIInChI=1S/C15H16ClFN2O2/c1-8(2)21-14-6-13(12(17)5-11(14)16)19-15(20)10(4)9(3)7-18-19/h5-8H,1-4H3
InChIKeyBMXPSVIPZMNPTD-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one

2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one (PubChem CID 20715310) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
PubChem CID20715310
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(-c2cc(OC(C)C)c(Cl)cc2F)c(=O)c1C
InChIInChI=1S/C15H16ClFN2O2/c1-8(2)21-14-6-13(12(17)5-11(14)16)19-15(20)10(4)9(3)7-18-19/h5-8H,1-4H3
InChIKeyBMXPSVIPZMNPTD-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
The IUPAC name of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one (CID 20715310) is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one is Cc1cnn(-c2cc(OC(C)C)c(Cl)cc2F)c(=O)c1C.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
The InChIKey is BMXPSVIPZMNPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-8(2)21-14-6-13(12(17)5-11(14)16)19-15(20)10(4)9(3)7-18-19/h5-8H,1-4H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one has a molecular weight of 310.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one is sourced from PubChem (CID 20715310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).