6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile

C15H13BrClN5 — CID 167767188

IUPAC6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)nc1
InChIInChI=1S/C15H13BrClN5/c16-13-7-12(17)10-20-15(13)22-5-3-21(4-6-22)14-2-1-11(8-18)9-19-14/h1-2,7,9-10H,3-6H2
InChIKeyRGQZCHMBDRADKV-UHFFFAOYSA-N
MW378.66 g/mol
LogP3.09
Rot. Bonds2

About 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 167767188) has the molecular formula C15H13BrClN5 and a molecular weight of 378.66 g/mol. Its IUPAC name is 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID167767188
Molecular FormulaC15H13BrClN5
Molecular Weight378.66 g/mol
Exact Mass377.00
IUPAC Name6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)nc1
InChIInChI=1S/C15H13BrClN5/c16-13-7-12(17)10-20-15(13)22-5-3-21(4-6-22)14-2-1-11(8-18)9-19-14/h1-2,7,9-10H,3-6H2
InChIKeyRGQZCHMBDRADKV-UHFFFAOYSA-N
XLogP3.09
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 167767188) is 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)nc1.
What is the InChIKey of 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RGQZCHMBDRADKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN5/c16-13-7-12(17)10-20-15(13)22-5-3-21(4-6-22)14-2-1-11(8-18)9-19-14/h1-2,7,9-10H,3-6H2.
What are the key properties of 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 378.66 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 167767188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).