1-[2-(bromomethyl)pentyl]pyridin-4-one

C11H16BrNO — CID 65010694

IUPAC1-[2-(bromomethyl)pentyl]pyridin-4-one
SMILESCCCC(CBr)Cn1ccc(=O)cc1
InChIInChI=1S/C11H16BrNO/c1-2-3-10(8-12)9-13-6-4-11(14)5-7-13/h4-7,10H,2-3,8-9H2,1H3
InChIKeyGSAIWWAVEGRXSF-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(bromomethyl)pentyl]pyridin-4-one

1-[2-(bromomethyl)pentyl]pyridin-4-one (PubChem CID 65010694) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]pyridin-4-one
PubChem CID65010694
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-[2-(bromomethyl)pentyl]pyridin-4-one
SMILESCCCC(CBr)Cn1ccc(=O)cc1
InChIInChI=1S/C11H16BrNO/c1-2-3-10(8-12)9-13-6-4-11(14)5-7-13/h4-7,10H,2-3,8-9H2,1H3
InChIKeyGSAIWWAVEGRXSF-UHFFFAOYSA-N
XLogP2.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]pyridin-4-one?
The IUPAC name of 1-[2-(bromomethyl)pentyl]pyridin-4-one (CID 65010694) is 1-[2-(bromomethyl)pentyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]pyridin-4-one?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]pyridin-4-one is CCCC(CBr)Cn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]pyridin-4-one?
The InChIKey is GSAIWWAVEGRXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-3-10(8-12)9-13-6-4-11(14)5-7-13/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]pyridin-4-one?
1-[2-(bromomethyl)pentyl]pyridin-4-one has a molecular weight of 258.16 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]pyridin-4-one is sourced from PubChem (CID 65010694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).