methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate

C9H9BrN2O3 — CID 103752231

IUPACmethyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cccnc1Br
InChIInChI=1S/C9H9BrN2O3/c1-15-7(13)5-12-9(14)6-3-2-4-11-8(6)10/h2-4H,5H2,1H3,(H,12,14)
InChIKeyBPOCEVSOJDSCGC-UHFFFAOYSA-N
MW273.09 g/mol
LogP0.75
Rot. Bonds3

About methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate

methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate (PubChem CID 103752231) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
PubChem CID103752231
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Namemethyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cccnc1Br
InChIInChI=1S/C9H9BrN2O3/c1-15-7(13)5-12-9(14)6-3-2-4-11-8(6)10/h2-4H,5H2,1H3,(H,12,14)
InChIKeyBPOCEVSOJDSCGC-UHFFFAOYSA-N
XLogP0.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 50.75
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 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 105343028
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
(2S)-2-[(2-bromopyridine-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 114036704
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate (CID 103752231) is methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cccnc1Br.
What is the InChIKey of methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate?
The InChIKey is BPOCEVSOJDSCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-15-7(13)5-12-9(14)6-3-2-4-11-8(6)10/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate?
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate has a molecular weight of 273.09 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 103752231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).