methyl 6-amino-5-bromopyridine-3-carboxylate

C7H7BrN2O2 — CID 2764099

IUPACmethyl 6-amino-5-bromopyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(Br)c1
InChIInChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10)
InChIKeyLNTAAMVZKGYIIA-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.21
Rot. Bonds1

About methyl 6-amino-5-bromopyridine-3-carboxylate

methyl 6-amino-5-bromopyridine-3-carboxylate (PubChem CID 2764099) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is methyl 6-amino-5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-bromopyridine-3-carboxylate
PubChem CID2764099
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Namemethyl 6-amino-5-bromopyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(Br)c1
InChIInChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10)
InChIKeyLNTAAMVZKGYIIA-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-5-bromopyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-bromopyridine-3-carboxylate (CID 2764099) is methyl 6-amino-5-bromopyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-bromopyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-bromopyridine-3-carboxylate is COC(=O)c1cnc(N)c(Br)c1.
What is the InChIKey of methyl 6-amino-5-bromopyridine-3-carboxylate?
The InChIKey is LNTAAMVZKGYIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10).
What are the key properties of methyl 6-amino-5-bromopyridine-3-carboxylate?
methyl 6-amino-5-bromopyridine-3-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-5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2764099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).