3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine

C12H15BrFNO — CID 142600065

IUPAC3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine
SMILESCOc1cc(CC2CCCC2)nc(F)c1Br
InChIInChI=1S/C12H15BrFNO/c1-16-10-7-9(15-12(14)11(10)13)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyIZWSJYSFWFNEHX-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.72
Rot. Bonds3

About 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine

3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine (PubChem CID 142600065) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine
PubChem CID142600065
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine
SMILESCOc1cc(CC2CCCC2)nc(F)c1Br
InChIInChI=1S/C12H15BrFNO/c1-16-10-7-9(15-12(14)11(10)13)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyIZWSJYSFWFNEHX-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.72
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 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine?
The IUPAC name of 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine (CID 142600065) is 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine.
What is the SMILES notation for 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine?
The canonical SMILES for 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine is COc1cc(CC2CCCC2)nc(F)c1Br.
What is the InChIKey of 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine?
The InChIKey is IZWSJYSFWFNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-10-7-9(15-12(14)11(10)13)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine?
3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine has a molecular weight of 288.16 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine is sourced from PubChem (CID 142600065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).