2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one

C12H10Cl2N2O — CID 22892828

IUPAC2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1
InChIInChI=1S/C12H10Cl2N2O/c1-8-5-11(17)16(15-6-8)7-9-3-2-4-10(13)12(9)14/h2-6H,7H2,1H3
InChIKeyWCTHYIMFELUKET-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.91
Rot. Bonds2

About 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one

2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one (PubChem CID 22892828) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
PubChem CID22892828
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1
InChIInChI=1S/C12H10Cl2N2O/c1-8-5-11(17)16(15-6-8)7-9-3-2-4-10(13)12(9)14/h2-6H,7H2,1H3
InChIKeyWCTHYIMFELUKET-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
CID 107313014
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one
CID 106548658
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzonitrile
CID 106548669
3-chloro-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 106548726
2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
CID 166336869
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one
CID 106549050
1-[(2,3-dichlorophenyl)methyl]-5-methyl-3-nitropyrazole
CID 17386070
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridazin-3-one
CID 106548297
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548770
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one (CID 22892828) is 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one is Cc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one?
The InChIKey is WCTHYIMFELUKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-8-5-11(17)16(15-6-8)7-9-3-2-4-10(13)12(9)14/h2-6H,7H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one?
2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one has a molecular weight of 269.13 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 22892828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).