1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile

C11H11BrN2 — CID 23134458

IUPAC1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2ccc(Br)nc2)CCCC1
InChIInChI=1S/C11H11BrN2/c12-10-4-3-9(7-14-10)11(8-13)5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChIKeyYARXHQQJUJJVMG-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.18
Rot. Bonds1

About 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile

1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile (PubChem CID 23134458) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile
PubChem CID23134458
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2ccc(Br)nc2)CCCC1
InChIInChI=1S/C11H11BrN2/c12-10-4-3-9(7-14-10)11(8-13)5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChIKeyYARXHQQJUJJVMG-UHFFFAOYSA-N
XLogP3.18
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile (CID 23134458) is 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile is N#CC1(c2ccc(Br)nc2)CCCC1.
What is the InChIKey of 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile?
The InChIKey is YARXHQQJUJJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-10-4-3-9(7-14-10)11(8-13)5-1-2-6-11/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile?
1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile has a molecular weight of 251.13 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 23134458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).