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

C11H13BrN2O — CID 23134457

IUPAC1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Br)nc2)CCCC1
InChIInChI=1S/C11H13BrN2O/c12-9-4-3-8(7-14-9)11(10(13)15)5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H2,13,15)
InChIKeyLIWWBLYNALTZDH-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.14
Rot. Bonds2

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

1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 23134457) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide
PubChem CID23134457
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Br)nc2)CCCC1
InChIInChI=1S/C11H13BrN2O/c12-9-4-3-8(7-14-9)11(10(13)15)5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H2,13,15)
InChIKeyLIWWBLYNALTZDH-UHFFFAOYSA-N
XLogP2.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-carboxamide?
The IUPAC name of 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide (CID 23134457) is 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide is NC(=O)C1(c2ccc(Br)nc2)CCCC1.
What is the InChIKey of 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is LIWWBLYNALTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-9-4-3-8(7-14-9)11(10(13)15)5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H2,13,15).
What are the key properties of 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide?
1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 23134457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).