5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine

C11H15BrFN3O — CID 172880733

IUPAC5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1nc(N2CCCC(CF)C2)ncc1Br
InChIInChI=1S/C11H15BrFN3O/c1-17-10-9(12)6-14-11(15-10)16-4-2-3-8(5-13)7-16/h6,8H,2-5,7H2,1H3
InChIKeyAMDFGRQAGSGIMW-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.43
Rot. Bonds3

About 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine

5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine (PubChem CID 172880733) has the molecular formula C11H15BrFN3O and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
PubChem CID172880733
Molecular FormulaC11H15BrFN3O
Molecular Weight304.16 g/mol
Exact Mass303.04
IUPAC Name5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1nc(N2CCCC(CF)C2)ncc1Br
InChIInChI=1S/C11H15BrFN3O/c1-17-10-9(12)6-14-11(15-10)16-4-2-3-8(5-13)7-16/h6,8H,2-5,7H2,1H3
InChIKeyAMDFGRQAGSGIMW-UHFFFAOYSA-N
XLogP2.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine (CID 172880733) is 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine is COc1nc(N2CCCC(CF)C2)ncc1Br.
What is the InChIKey of 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The InChIKey is AMDFGRQAGSGIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O/c1-17-10-9(12)6-14-11(15-10)16-4-2-3-8(5-13)7-16/h6,8H,2-5,7H2,1H3.
What are the key properties of 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine has a molecular weight of 304.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 172880733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).