ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate

C10H11BrN2O3 — CID 3136484

IUPACethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c1-2-16-9(14)6-13-10(15)7-3-8(11)5-12-4-7/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyRWFBKRMICKRKEL-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.14
Rot. Bonds4

About ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate

ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate (PubChem CID 3136484) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
PubChem CID3136484
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Nameethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c1-2-16-9(14)6-13-10(15)7-3-8(11)5-12-4-7/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyRWFBKRMICKRKEL-UHFFFAOYSA-N
XLogP1.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
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5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
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diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate (CID 3136484) is ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cncc(Br)c1.
What is the InChIKey of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate?
The InChIKey is RWFBKRMICKRKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-2-16-9(14)6-13-10(15)7-3-8(11)5-12-4-7/h3-5H,2,6H2,1H3,(H,13,15).
What are the key properties of ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate?
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate has a molecular weight of 287.11 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 3136484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).