methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate

C13H15BrN2O3 — CID 79833179

IUPACmethyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H15BrN2O3/c1-19-13(18)10-4-2-3-7-16(10)12(17)9-5-6-11(14)15-8-9/h5-6,8,10H,2-4,7H2,1H3/t10-/m1/s1
InChIKeyACUHLKAFFBGNBZ-SNVBAGLBSA-N
MW327.18 g/mol
LogP2.01
Rot. Bonds2

About methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 79833179) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID79833179
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Namemethyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H15BrN2O3/c1-19-13(18)10-4-2-3-7-16(10)12(17)9-5-6-11(14)15-8-9/h5-6,8,10H,2-4,7H2,1H3/t10-/m1/s1
InChIKeyACUHLKAFFBGNBZ-SNVBAGLBSA-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

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 91815364
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl (2S)-1-[4-(1,3-thiazol-4-yl)benzoyl]piperidine-2-carboxylate
CID 96999118
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate (CID 79833179) is methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)nc1.
What is the InChIKey of methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is ACUHLKAFFBGNBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-19-13(18)10-4-2-3-7-16(10)12(17)9-5-6-11(14)15-8-9/h5-6,8,10H,2-4,7H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(6-bromopyridine-3-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 (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).