methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate

C13H15BrN2O3 — CID 55152128

IUPACmethyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O3/c1-19-13(18)11-4-2-3-7-16(11)12(17)10-6-5-9(14)8-15-10/h5-6,8,11H,2-4,7H2,1H3
InChIKeyMYQDQGNKCWQSJT-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.01
Rot. Bonds2

About methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate

methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate (PubChem CID 55152128) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
PubChem CID55152128
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Namemethyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O3/c1-19-13(18)11-4-2-3-7-16(11)12(17)10-6-5-9(14)8-15-10/h5-6,8,11H,2-4,7H2,1H3
InChIKeyMYQDQGNKCWQSJT-UHFFFAOYSA-N
XLogP2.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 166391031
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
methyl 1-(5-bromo-2-chloropyridine-3-carbonyl)piperidine-2-carboxylate
CID 62000438
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
(5-bromo-2-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62998965

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate (CID 55152128) is methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is MYQDQGNKCWQSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-19-13(18)11-4-2-3-7-16(11)12(17)10-6-5-9(14)8-15-10/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate?
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 327.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 55152128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).