methyl 6-amino-2,3-dichloropyridine-4-carboxylate

C7H6Cl2N2O2 — CID 130951422

IUPACmethyl 6-amino-2,3-dichloropyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-13-7(12)3-2-4(10)11-6(9)5(3)8/h2H,1H3,(H2,10,11)
InChIKeyZAUFUJOFSJWIKS-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.76
Rot. Bonds1

About methyl 6-amino-2,3-dichloropyridine-4-carboxylate

methyl 6-amino-2,3-dichloropyridine-4-carboxylate (PubChem CID 130951422) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is methyl 6-amino-2,3-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2,3-dichloropyridine-4-carboxylate
PubChem CID130951422
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Namemethyl 6-amino-2,3-dichloropyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-13-7(12)3-2-4(10)11-6(9)5(3)8/h2H,1H3,(H2,10,11)
InChIKeyZAUFUJOFSJWIKS-UHFFFAOYSA-N
XLogP1.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
methyl 6-amino-3-(benzotriazol-1-yl)-2-chloropyridine-4-carboxylate
CID 171466328
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 89272080
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204
methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849978
CID 147920792
CID 147920792
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2,3-dichloropyridine-4-carboxylate?
The IUPAC name of methyl 6-amino-2,3-dichloropyridine-4-carboxylate (CID 130951422) is methyl 6-amino-2,3-dichloropyridine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2,3-dichloropyridine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2,3-dichloropyridine-4-carboxylate is COC(=O)c1cc(N)nc(Cl)c1Cl.
What is the InChIKey of methyl 6-amino-2,3-dichloropyridine-4-carboxylate?
The InChIKey is ZAUFUJOFSJWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-13-7(12)3-2-4(10)11-6(9)5(3)8/h2H,1H3,(H2,10,11).
What are the key properties of methyl 6-amino-2,3-dichloropyridine-4-carboxylate?
methyl 6-amino-2,3-dichloropyridine-4-carboxylate has a molecular weight of 221.04 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2,3-dichloropyridine-4-carboxylate is sourced from PubChem (CID 130951422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).