5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile

C11H12BrN3O — CID 76848480

IUPAC5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCCC(O)C1
InChIInChI=1S/C11H12BrN3O/c12-9-4-8(5-13)11(14-6-9)15-3-1-2-10(16)7-15/h4,6,10,16H,1-3,7H2
InChIKeySVKDPJFRRPRJFH-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.68
Rot. Bonds1

About 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile

5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 76848480) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID76848480
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCCC(O)C1
InChIInChI=1S/C11H12BrN3O/c12-9-4-8(5-13)11(14-6-9)15-3-1-2-10(16)7-15/h4,6,10,16H,1-3,7H2
InChIKeySVKDPJFRRPRJFH-UHFFFAOYSA-N
XLogP1.68
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
5-amino-6-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 103467569
5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 76848472
1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 144576037
5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 76848485
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
5-bromo-2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171994872
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171992775
5-bromo-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 171702364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile (CID 76848480) is 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1cc(Br)cnc1N1CCCC(O)C1.
What is the InChIKey of 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is SVKDPJFRRPRJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-4-8(5-13)11(14-6-9)15-3-1-2-10(16)7-15/h4,6,10,16H,1-3,7H2.
What are the key properties of 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile?
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 282.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 76848480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).