1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid

C12H15BrN2O2 — CID 120964839

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1nc(N2CCCC(C(=O)O)C2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-8-10(13)4-5-11(14-8)15-6-2-3-9(7-15)12(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyLUOZJJAGYDGFDL-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.45
Rot. Bonds2

About 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid

1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 120964839) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
PubChem CID120964839
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1nc(N2CCCC(C(=O)O)C2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-8-10(13)4-5-11(14-8)15-6-2-3-9(7-15)12(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyLUOZJJAGYDGFDL-UHFFFAOYSA-N
XLogP2.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
methyl N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113413422
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
CID 114047629
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
1-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 53214047
1-(4-bromo-2-methylphenyl)piperidine-3-carboxylic acid
CID 117008239
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid (CID 120964839) is 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid is Cc1nc(N2CCCC(C(=O)O)C2)ccc1Br.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is LUOZJJAGYDGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-10(13)4-5-11(14-8)15-6-2-3-9(7-15)12(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 299.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120964839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).