ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate

C14H17BrN2O3 — CID 103874990

IUPACethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C14H17BrN2O3/c1-2-20-14(19)10-6-8-17(9-7-10)13(18)11-4-3-5-12(15)16-11/h3-5,10H,2,6-9H2,1H3
InChIKeyRXSDSQOKITUCNI-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.26
Rot. Bonds3

About ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 103874990) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
PubChem CID103874990
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Nameethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C14H17BrN2O3/c1-2-20-14(19)10-6-8-17(9-7-10)13(18)11-4-3-5-12(15)16-11/h3-5,10H,2,6-9H2,1H3
InChIKeyRXSDSQOKITUCNI-UHFFFAOYSA-N
XLogP2.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
CID 113351440
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate (CID 103874990) is ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(Br)n2)CC1.
What is the InChIKey of ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is RXSDSQOKITUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-2-20-14(19)10-6-8-17(9-7-10)13(18)11-4-3-5-12(15)16-11/h3-5,10H,2,6-9H2,1H3.
What are the key properties of ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 341.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 103874990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).