methyl 6-amino-3-bromopyridine-2-carboxylate

C7H7BrN2O2 — CID 10657127

IUPACmethyl 6-amino-3-bromopyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)ccc1Br
InChIInChI=1S/C7H7BrN2O2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3,(H2,9,10)
InChIKeyYJUKTIBOUBUOJH-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.21
Rot. Bonds1

About methyl 6-amino-3-bromopyridine-2-carboxylate

methyl 6-amino-3-bromopyridine-2-carboxylate (PubChem CID 10657127) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is methyl 6-amino-3-bromopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-3-bromopyridine-2-carboxylate
PubChem CID10657127
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Namemethyl 6-amino-3-bromopyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)ccc1Br
InChIInChI=1S/C7H7BrN2O2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3,(H2,9,10)
InChIKeyYJUKTIBOUBUOJH-UHFFFAOYSA-N
XLogP1.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.21
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-bromopyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-3-bromopyridine-2-carboxylate (CID 10657127) is methyl 6-amino-3-bromopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-3-bromopyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-3-bromopyridine-2-carboxylate is COC(=O)c1nc(N)ccc1Br.
What is the InChIKey of methyl 6-amino-3-bromopyridine-2-carboxylate?
The InChIKey is YJUKTIBOUBUOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3,(H2,9,10).
What are the key properties of methyl 6-amino-3-bromopyridine-2-carboxylate?
methyl 6-amino-3-bromopyridine-2-carboxylate has a molecular weight of 231.05 g/mol, XLogP of 1.21, 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-bromopyridine-2-carboxylate is sourced from PubChem (CID 10657127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).