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

C7H5BrClNO2 — CID 46311201

IUPACmethyl 5-bromo-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C7H5BrClNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3
InChIKeyQBNSPYFGGCZDJG-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.28
Rot. Bonds1

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

methyl 5-bromo-3-chloropyridine-2-carboxylate (PubChem CID 46311201) has the molecular formula C7H5BrClNO2 and a molecular weight of 250.48 g/mol. Its IUPAC name is methyl 5-bromo-3-chloropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-3-chloropyridine-2-carboxylate
PubChem CID46311201
Molecular FormulaC7H5BrClNO2
Molecular Weight250.48 g/mol
Exact Mass248.92
IUPAC Namemethyl 5-bromo-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C7H5BrClNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3
InChIKeyQBNSPYFGGCZDJG-UHFFFAOYSA-N
XLogP2.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-chloropyridine-2-carboxylate?
The IUPAC name of methyl 5-bromo-3-chloropyridine-2-carboxylate (CID 46311201) is methyl 5-bromo-3-chloropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-3-chloropyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromo-3-chloropyridine-2-carboxylate is COC(=O)c1ncc(Br)cc1Cl.
What is the InChIKey of methyl 5-bromo-3-chloropyridine-2-carboxylate?
The InChIKey is QBNSPYFGGCZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3.
What are the key properties of methyl 5-bromo-3-chloropyridine-2-carboxylate?
methyl 5-bromo-3-chloropyridine-2-carboxylate has a molecular weight of 250.48 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-chloropyridine-2-carboxylate is sourced from PubChem (CID 46311201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).