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

C7H6BrFN2O2 — CID 166460509

IUPACmethyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(F)cc1Br
InChIInChI=1S/C7H6BrFN2O2/c1-13-7(12)5-3(8)2-4(9)6(10)11-5/h2H,1H3,(H2,10,11)
InChIKeyKLHYGRMOABOFJX-UHFFFAOYSA-N
MW249.04 g/mol
LogP1.35
Rot. Bonds1

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

methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate (PubChem CID 166460509) has the molecular formula C7H6BrFN2O2 and a molecular weight of 249.04 g/mol. Its IUPAC name is methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate
PubChem CID166460509
Molecular FormulaC7H6BrFN2O2
Molecular Weight249.04 g/mol
Exact Mass247.96
IUPAC Namemethyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(F)cc1Br
InChIInChI=1S/C7H6BrFN2O2/c1-13-7(12)5-3(8)2-4(9)6(10)11-5/h2H,1H3,(H2,10,11)
InChIKeyKLHYGRMOABOFJX-UHFFFAOYSA-N
XLogP1.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.04
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate (CID 166460509) is methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(N)c(F)cc1Br.
What is the InChIKey of methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate?
The InChIKey is KLHYGRMOABOFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O2/c1-13-7(12)5-3(8)2-4(9)6(10)11-5/h2H,1H3,(H2,10,11).
What are the key properties of methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate?
methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate has a molecular weight of 249.04 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3-bromo-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 166460509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).