(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone

C12H9ClN2O — CID 107561470

IUPAC(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
SMILESCc1ccc(C(=O)c2ccnnc2)cc1Cl
InChIInChI=1S/C12H9ClN2O/c1-8-2-3-9(6-11(8)13)12(16)10-4-5-14-15-7-10/h2-7H,1H3
InChIKeyAYZNQWHGVCSWOT-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.67
Rot. Bonds2

About (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone

(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone (PubChem CID 107561470) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
PubChem CID107561470
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
SMILESCc1ccc(C(=O)c2ccnnc2)cc1Cl
InChIInChI=1S/C12H9ClN2O/c1-8-2-3-9(6-11(8)13)12(16)10-4-5-14-15-7-10/h2-7H,1H3
InChIKeyAYZNQWHGVCSWOT-UHFFFAOYSA-N
XLogP2.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 115809410
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
CID 105121470
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone
CID 107559829
(3-chloro-4-methylphenyl)-pyrimidin-4-ylmethanone
CID 107559832
(3-chloro-4-methylphenyl)-(2H-triazol-4-yl)methanone
CID 107559913

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone?
The IUPAC name of (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone (CID 107561470) is (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone is Cc1ccc(C(=O)c2ccnnc2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone?
The InChIKey is AYZNQWHGVCSWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8-2-3-9(6-11(8)13)12(16)10-4-5-14-15-7-10/h2-7H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone?
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone has a molecular weight of 232.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 107561470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).