(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid

C12H13BrN2O3 — CID 114037544

IUPAC(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C12H13BrN2O3/c13-10-5-1-4-9(14-10)11(16)15-6-2-3-8(7-15)12(17)18/h1,4-5,8H,2-3,6-7H2,(H,17,18)/t8-/m1/s1
InChIKeyBWGZNUUSWYSBCM-MRVPVSSYSA-N
MW313.15 g/mol
LogP1.78
Rot. Bonds2

About (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 114037544) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID114037544
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C12H13BrN2O3/c13-10-5-1-4-9(14-10)11(16)15-6-2-3-8(7-15)12(17)18/h1,4-5,8H,2-3,6-7H2,(H,17,18)/t8-/m1/s1
InChIKeyBWGZNUUSWYSBCM-MRVPVSSYSA-N
XLogP1.78
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821
(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 99638878
(3S)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 107949380
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
(3S)-1-(3-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 81125596

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid (CID 114037544) is (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2cccc(Br)n2)C1.
What is the InChIKey of (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is BWGZNUUSWYSBCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-10-5-1-4-9(14-10)11(16)15-6-2-3-8(7-15)12(17)18/h1,4-5,8H,2-3,6-7H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 313.15 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114037544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).