methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate

C8H9BrN2O2 — CID 131211595

IUPACmethyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(N)nc1Br
InChIInChI=1S/C8H9BrN2O2/c1-13-7(12)4-5-2-3-6(10)11-8(5)9/h2-3H,4H2,1H3,(H2,10,11)
InChIKeyZBUTTYUOAKVOEI-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate

methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate (PubChem CID 131211595) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
PubChem CID131211595
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(N)nc1Br
InChIInChI=1S/C8H9BrN2O2/c1-13-7(12)4-5-2-3-6(10)11-8(5)9/h2-3H,4H2,1H3,(H2,10,11)
InChIKeyZBUTTYUOAKVOEI-UHFFFAOYSA-N
XLogP1.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.14
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 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669816
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
CID 130681822
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
CID 130631453
methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate
CID 54401344
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154
methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
CID 171015076
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-(3-bromo-2-chloro-4-iodophenyl)acetate
CID 171027522
methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate (CID 131211595) is methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate is COC(=O)Cc1ccc(N)nc1Br.
What is the InChIKey of methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate?
The InChIKey is ZBUTTYUOAKVOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-7(12)4-5-2-3-6(10)11-8(5)9/h2-3H,4H2,1H3,(H2,10,11).
What are the key properties of methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate?
methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate has a molecular weight of 245.08 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate is sourced from PubChem (CID 131211595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).