1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid

C11H13BrN2O2 — CID 16794460

IUPAC1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H13BrN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyUZHCKHPUYLVRFG-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.15
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid

1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 16794460) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID16794460
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H13BrN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyUZHCKHPUYLVRFG-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid (CID 16794460) is 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is UZHCKHPUYLVRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid?
1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 285.14 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16794460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).