2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one

C11H9Cl2N3O — CID 106548658

IUPAC2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2cnc(Cl)cc2Cl)c(=O)c1
InChIInChI=1S/C11H9Cl2N3O/c1-7-2-11(17)16(15-4-7)6-8-5-14-10(13)3-9(8)12/h2-5H,6H2,1H3
InChIKeyIQXAHDRQHVIGHI-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.30
Rot. Bonds2

About 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one

2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one (PubChem CID 106548658) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one
PubChem CID106548658
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2cnc(Cl)cc2Cl)c(=O)c1
InChIInChI=1S/C11H9Cl2N3O/c1-7-2-11(17)16(15-4-7)6-8-5-14-10(13)3-9(8)12/h2-5H,6H2,1H3
InChIKeyIQXAHDRQHVIGHI-UHFFFAOYSA-N
XLogP2.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.30
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

2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one
CID 116519203
2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
CID 22892828
3-chloro-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 106548726
1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 116519212
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzonitrile
CID 106548669
2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one
CID 106549024
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
5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106549176
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548362
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(cyclopropylmethyl)-5-methylpyridazin-3-one
CID 131020040

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one (CID 106548658) is 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one is Cc1cnn(Cc2cnc(Cl)cc2Cl)c(=O)c1.
What is the InChIKey of 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one?
The InChIKey is IQXAHDRQHVIGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-7-2-11(17)16(15-4-7)6-8-5-14-10(13)3-9(8)12/h2-5H,6H2,1H3.
What are the key properties of 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one?
2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one has a molecular weight of 270.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-3-pyridinyl)methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).