methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate

C13H10Cl2N4O4 — CID 67974580

IUPACmethyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc([N+](=O)[O-])cc(Cl)c2N)cc(N)c1Cl
InChIInChI=1S/C13H10Cl2N4O4/c1-23-13(20)12-10(15)8(16)4-9(18-12)6-2-5(19(21)22)3-7(14)11(6)17/h2-4H,17H2,1H3,(H2,16,18)
InChIKeyHHRDDZPKCXKONI-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.91
Rot. Bonds3

About methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate

methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate (PubChem CID 67974580) has the molecular formula C13H10Cl2N4O4 and a molecular weight of 357.15 g/mol. Its IUPAC name is methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate
PubChem CID67974580
Molecular FormulaC13H10Cl2N4O4
Molecular Weight357.15 g/mol
Exact Mass356.01
IUPAC Namemethyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc([N+](=O)[O-])cc(Cl)c2N)cc(N)c1Cl
InChIInChI=1S/C13H10Cl2N4O4/c1-23-13(20)12-10(15)8(16)4-9(18-12)6-2-5(19(21)22)3-7(14)11(6)17/h2-4H,17H2,1H3,(H2,16,18)
InChIKeyHHRDDZPKCXKONI-UHFFFAOYSA-N
XLogP2.91
TPSA134.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
CID 140623371
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
CID 68600303
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 90437775
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
dimethyl 2-amino-5-nitrobenzene-1,3-dicarboxylate
CID 154210307
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate (CID 67974580) is methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate is COC(=O)c1nc(-c2cc([N+](=O)[O-])cc(Cl)c2N)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate?
The InChIKey is HHRDDZPKCXKONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O4/c1-23-13(20)12-10(15)8(16)4-9(18-12)6-2-5(19(21)22)3-7(14)11(6)17/h2-4H,17H2,1H3,(H2,16,18).
What are the key properties of methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate?
methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate has a molecular weight of 357.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate is sourced from PubChem (CID 67974580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).