5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile

C10H11BrN4 — CID 167443591

IUPAC5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)cc1N1CCNCC1
InChIInChI=1S/C10H11BrN4/c11-8-5-10(9(6-12)14-7-8)15-3-1-13-2-4-15/h5,7,13H,1-4H2
InChIKeyKYGBKHDECBBVDO-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.13
Rot. Bonds1

About 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile

5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile (PubChem CID 167443591) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile
PubChem CID167443591
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)cc1N1CCNCC1
InChIInChI=1S/C10H11BrN4/c11-8-5-10(9(6-12)14-7-8)15-3-1-13-2-4-15/h5,7,13H,1-4H2
InChIKeyKYGBKHDECBBVDO-UHFFFAOYSA-N
XLogP1.13
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile
CID 90456532
5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile
CID 167443488
5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride
CID 171779933
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
5-bromo-3-nitropyridine-2-carbonitrile;morpholine;5-morpholin-4-yl-3-nitropyridine-2-carbonitrile
CID 158609111
3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 1475875
5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 44625997
1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile
CID 163378535
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
CID 177335038
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile (CID 167443591) is 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile is N#Cc1ncc(Br)cc1N1CCNCC1.
What is the InChIKey of 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile?
The InChIKey is KYGBKHDECBBVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-5-10(9(6-12)14-7-8)15-3-1-13-2-4-15/h5,7,13H,1-4H2.
What are the key properties of 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile?
5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile has a molecular weight of 267.13 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile is sourced from PubChem (CID 167443591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).