1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile

C12H12BrN3O — CID 113351440

IUPAC1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C12H12BrN3O/c13-11-3-1-2-10(15-11)12(17)16-6-4-9(8-14)5-7-16/h1-3,9H,4-7H2
InChIKeyGJDUFGZOLQBXGM-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.22
Rot. Bonds1

About 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile

1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile (PubChem CID 113351440) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
PubChem CID113351440
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C12H12BrN3O/c13-11-3-1-2-10(15-11)12(17)16-6-4-9(8-14)5-7-16/h1-3,9H,4-7H2
InChIKeyGJDUFGZOLQBXGM-UHFFFAOYSA-N
XLogP2.22
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 103916743
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734
(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone
CID 130522554
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile (CID 113351440) is 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2cccc(Br)n2)CC1.
What is the InChIKey of 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile?
The InChIKey is GJDUFGZOLQBXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-11-3-1-2-10(15-11)12(17)16-6-4-9(8-14)5-7-16/h1-3,9H,4-7H2.
What are the key properties of 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile?
1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile has a molecular weight of 294.15 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 113351440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).