methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate

C8H7Cl2N3O3 — CID 102484511

IUPACmethyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(Cl)nc1N=CNO
InChIInChI=1S/C8H7Cl2N3O3/c1-16-8(14)6-4(9)2-5(10)13-7(6)11-3-12-15/h2-3,15H,1H3,(H,11,12,13)
InChIKeyPUCFLPXMMXAZOB-UHFFFAOYSA-N
MW264.07 g/mol
LogP1.81
Rot. Bonds3

About methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate

methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate (PubChem CID 102484511) has the molecular formula C8H7Cl2N3O3 and a molecular weight of 264.07 g/mol. Its IUPAC name is methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate
PubChem CID102484511
Molecular FormulaC8H7Cl2N3O3
Molecular Weight264.07 g/mol
Exact Mass262.99
IUPAC Namemethyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(Cl)nc1N=CNO
InChIInChI=1S/C8H7Cl2N3O3/c1-16-8(14)6-4(9)2-5(10)13-7(6)11-3-12-15/h2-3,15H,1H3,(H,11,12,13)
InChIKeyPUCFLPXMMXAZOB-UHFFFAOYSA-N
XLogP1.81
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate
CID 157123026
methyl 4,6-dichloro-3-iodopyridine-2-carboxylate
CID 86668299
methyl 4-chloro-2-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 177042843
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 2,6-dichloro-4-(hydroxymethyl)benzoate
CID 66712920
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071382
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide
CID 58861095
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate?
The IUPAC name of methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate (CID 102484511) is methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate is COC(=O)c1c(Cl)cc(Cl)nc1N=CNO.
What is the InChIKey of methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate?
The InChIKey is PUCFLPXMMXAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O3/c1-16-8(14)6-4(9)2-5(10)13-7(6)11-3-12-15/h2-3,15H,1H3,(H,11,12,13).
What are the key properties of methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate?
methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate has a molecular weight of 264.07 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate is sourced from PubChem (CID 102484511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).