3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine

C11H13BrFN — CID 116540734

IUPAC3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine
SMILESCC1(c2cncc(F)c2)CCC(Br)C1
InChIInChI=1S/C11H13BrFN/c1-11(3-2-9(12)5-11)8-4-10(13)7-14-6-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyNESGUCVGNMSBSW-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.43
Rot. Bonds1

About 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine

3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine (PubChem CID 116540734) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine
PubChem CID116540734
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine
SMILESCC1(c2cncc(F)c2)CCC(Br)C1
InChIInChI=1S/C11H13BrFN/c1-11(3-2-9(12)5-11)8-4-10(13)7-14-6-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyNESGUCVGNMSBSW-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine?
The IUPAC name of 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine (CID 116540734) is 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine.
What is the SMILES notation for 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine?
The canonical SMILES for 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine is CC1(c2cncc(F)c2)CCC(Br)C1.
What is the InChIKey of 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine?
The InChIKey is NESGUCVGNMSBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-11(3-2-9(12)5-11)8-4-10(13)7-14-6-8/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine?
3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine has a molecular weight of 258.13 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine is sourced from PubChem (CID 116540734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).