(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone

C11H8ClN3O — CID 15049840

IUPAC(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone
SMILESNc1ccc(Cl)cc1C(=O)c1cccnn1
InChIInChI=1S/C11H8ClN3O/c12-7-3-4-9(13)8(6-7)11(16)10-2-1-5-14-15-10/h1-6H,13H2
InChIKeyBIRUVHZVYAXBQI-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.94
Rot. Bonds2

About (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone

(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone (PubChem CID 15049840) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone
PubChem CID15049840
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone
SMILESNc1ccc(Cl)cc1C(=O)c1cccnn1
InChIInChI=1S/C11H8ClN3O/c12-7-3-4-9(13)8(6-7)11(16)10-2-1-5-14-15-10/h1-6H,13H2
InChIKeyBIRUVHZVYAXBQI-UHFFFAOYSA-N
XLogP1.94
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
5-(2-amino-5-chlorobenzoyl)-2H-triazole-4-carboxylic acid
CID 152704973
2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
CID 103765308
2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
S-methyl 2-amino-5-chlorobenzenecarbothioate
CID 134117277
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106880126
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone
CID 116832910

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone?
The IUPAC name of (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone (CID 15049840) is (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone is Nc1ccc(Cl)cc1C(=O)c1cccnn1.
What is the InChIKey of (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone?
The InChIKey is BIRUVHZVYAXBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-7-3-4-9(13)8(6-7)11(16)10-2-1-5-14-15-10/h1-6H,13H2.
What are the key properties of (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone?
(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone has a molecular weight of 233.66 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone is sourced from PubChem (CID 15049840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).