methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate

C16H14Cl4N4O5 — CID 157123026

IUPACmethyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(Cl)nc1N.COC(=O)c1c(Cl)cc(Cl)nc1N=CCO
InChIInChI=1S/C9H8Cl2N2O3.C7H6Cl2N2O2/c1-16-9(15)7-5(10)4-6(11)13-8(7)12-2-3-14;1-13-7(12)5-3(8)2-4(9)11-6(5)10/h2,4,14H,3H2,1H3;2H,1H3,(H2,10,11)
InChIKeyAIERWZHDNUAOQC-UHFFFAOYSA-N
MW484.12 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate

methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate (PubChem CID 157123026) has the molecular formula C16H14Cl4N4O5 and a molecular weight of 484.12 g/mol. Its IUPAC name is methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate
PubChem CID157123026
Molecular FormulaC16H14Cl4N4O5
Molecular Weight484.12 g/mol
Exact Mass481.97
IUPAC Namemethyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(Cl)nc1N.COC(=O)c1c(Cl)cc(Cl)nc1N=CCO
InChIInChI=1S/C9H8Cl2N2O3.C7H6Cl2N2O2/c1-16-9(15)7-5(10)4-6(11)13-8(7)12-2-3-14;1-13-7(12)5-3(8)2-4(9)11-6(5)10/h2,4,14H,3H2,1H3;2H,1H3,(H2,10,11)
InChIKeyAIERWZHDNUAOQC-UHFFFAOYSA-N
XLogP3.63
TPSA136.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.12
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

methyl 4,6-dichloro-2-[(hydroxyamino)methylideneamino]pyridine-3-carboxylate
CID 102484511
methyl 2,6-dichloro-4-(hydroxymethyl)benzoate
CID 66712920
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
CID 116647598
methyl 4-chloro-2-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 177042843
methyl 4,6-dichloro-3-iodopyridine-2-carboxylate
CID 86668299
methyl 3-amino-2,6-dichloro-4-methylbenzoate
CID 58277770
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
CID 176894230
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate (CID 157123026) is methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate is COC(=O)c1c(Cl)cc(Cl)nc1N.COC(=O)c1c(Cl)cc(Cl)nc1N=CCO.
What is the InChIKey of methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate?
The InChIKey is AIERWZHDNUAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3.C7H6Cl2N2O2/c1-16-9(15)7-5(10)4-6(11)13-8(7)12-2-3-14;1-13-7(12)5-3(8)2-4(9)11-6(5)10/h2,4,14H,3H2,1H3;2H,1H3,(H2,10,11).
What are the key properties of methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate?
methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate has a molecular weight of 484.12 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,6-dichloropyridine-3-carboxylate;methyl 4,6-dichloro-2-(2-hydroxyethylideneamino)pyridine-3-carboxylate is sourced from PubChem (CID 157123026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).