[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate

C11H11BrN2O3 — CID 2365821

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESO=C(COC(=O)c1cncc(Br)c1)NC1CC1
InChIInChI=1S/C11H11BrN2O3/c12-8-3-7(4-13-5-8)11(16)17-6-10(15)14-9-1-2-9/h3-5,9H,1-2,6H2,(H,14,15)
InChIKeyYYSOGFBCNNKWTQ-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.28
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate (PubChem CID 2365821) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
PubChem CID2365821
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESO=C(COC(=O)c1cncc(Br)c1)NC1CC1
InChIInChI=1S/C11H11BrN2O3/c12-8-3-7(4-13-5-8)11(16)17-6-10(15)14-9-1-2-9/h3-5,9H,1-2,6H2,(H,14,15)
InChIKeyYYSOGFBCNNKWTQ-UHFFFAOYSA-N
XLogP1.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2433504
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 7427450
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2629648
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2488868
[2-(4-iodoanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 3255943
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2606025
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 2605916
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2605977
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 4851490
[2-(cyclopropylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387808
[2-(cyclopropylamino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7837372
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 16522998

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate (CID 2365821) is [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate is O=C(COC(=O)c1cncc(Br)c1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The InChIKey is YYSOGFBCNNKWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c12-8-3-7(4-13-5-8)11(16)17-6-10(15)14-9-1-2-9/h3-5,9H,1-2,6H2,(H,14,15).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate has a molecular weight of 299.12 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2365821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).