methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate

C7H6BrClN2O2 — CID 131521858

IUPACmethyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)nc1N
InChIInChI=1S/C7H6BrClN2O2/c1-13-7(12)3-2-4(8)5(9)11-6(3)10/h2H,1H3,(H2,10,11)
InChIKeyDEJZNIUCSASHEB-UHFFFAOYSA-N
MW265.49 g/mol
LogP1.87
Rot. Bonds1

About methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate

methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate (PubChem CID 131521858) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
PubChem CID131521858
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Namemethyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)nc1N
InChIInChI=1S/C7H6BrClN2O2/c1-13-7(12)3-2-4(8)5(9)11-6(3)10/h2H,1H3,(H2,10,11)
InChIKeyDEJZNIUCSASHEB-UHFFFAOYSA-N
XLogP1.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 51.87
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 5-bromo-2,4-dichlorobenzoate
CID 75360955
methyl 6-amino-2,3-dichloropyridine-4-carboxylate
CID 130951422
2-amino-6-bromo-3-chloro-4-methoxycarbonylbenzoic acid
CID 115356891
methyl 3,4-diamino-5-bromo-2-hydroxybenzoate
CID 23046711
methyl 2-amino-8-methylquinoline-3-carboxylate
CID 135393173
methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CID 26369957
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate (CID 131521858) is methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate is COC(=O)c1cc(Br)c(Cl)nc1N.
What is the InChIKey of methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate?
The InChIKey is DEJZNIUCSASHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c1-13-7(12)3-2-4(8)5(9)11-6(3)10/h2H,1H3,(H2,10,11).
What are the key properties of methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate?
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate has a molecular weight of 265.49 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate is sourced from PubChem (CID 131521858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).