1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile

C11H11BrClN3 — CID 121006077

IUPAC1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H11BrClN3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-4H2
InChIKeyQHROMXZLPJJSAV-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.24
Rot. Bonds1

About 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile

1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile (PubChem CID 121006077) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile
PubChem CID121006077
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H11BrClN3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-4H2
InChIKeyQHROMXZLPJJSAV-UHFFFAOYSA-N
XLogP3.24
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile (CID 121006077) is 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile is N#CC1CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile?
The InChIKey is QHROMXZLPJJSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-4H2.
What are the key properties of 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile?
1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile has a molecular weight of 300.59 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile is sourced from PubChem (CID 121006077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).