2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one

C11H10ClN3O — CID 62923727

IUPAC2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3O/c1-8-2-3-11(16)15(14-8)7-9-4-5-13-10(12)6-9/h2-6H,7H2,1H3
InChIKeyVFGZWOZEJDQRLW-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.65
Rot. Bonds2

About 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one

2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one (PubChem CID 62923727) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one
PubChem CID62923727
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3O/c1-8-2-3-11(16)15(14-8)7-9-4-5-13-10(12)6-9/h2-6H,7H2,1H3
InChIKeyVFGZWOZEJDQRLW-UHFFFAOYSA-N
XLogP1.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
6-(Pyridin-4-yl)pyridazin-3(2H)-one
CID 2727612
1-{4-[(6-Chloro-3-pyridinyl)methyl]piperazino}-1-ethanone
CID 1473079
N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6920356
3-(3-chlorophenyl)-N-(4-pyridinylmethyl)acrylamide
CID 897929
3-(4-chlorophenyl)-N-(4-pyridinylmethyl)acrylamide
CID 2178443
4-Chloro-2-(3-chloro-4-fluorophenyl)-5-[(2E)-1-methyl-2-[(pyridin-4-YL)methylidene]hydrazin-1-YL]-2,3-dihydropyridazin-3-one
CID 9641904
N-[(E)-[1-(3-chloroanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
CID 164615594
N-[(E)-[1-(4-chloroanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
CID 164622542
4-chloro-N'-[(1E)-1-pyridin-3-ylethylidene]benzohydrazide
CID 9670214
3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-2-(2-(4-pyridyl)ethyl)-
CID 77162
Isonicotinaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone
CID 5941382

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one (CID 62923727) is 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is VFGZWOZEJDQRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-8-2-3-11(16)15(14-8)7-9-4-5-13-10(12)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one?
2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one has a molecular weight of 235.67 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62923727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).