5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine

C12H10BrFN2O — CID 124729254

IUPAC5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine
SMILESC[C@H](Oc1ccc(F)cc1)c1ncc(Br)cn1
InChIInChI=1S/C12H10BrFN2O/c1-8(12-15-6-9(13)7-16-12)17-11-4-2-10(14)3-5-11/h2-8H,1H3/t8-/m0/s1
InChIKeyFYGXVJNUNHSSBK-QMMMGPOBSA-N
MW297.13 g/mol
LogP3.52
Rot. Bonds3

About 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine

5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine (PubChem CID 124729254) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine
PubChem CID124729254
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine
SMILESC[C@H](Oc1ccc(F)cc1)c1ncc(Br)cn1
InChIInChI=1S/C12H10BrFN2O/c1-8(12-15-6-9(13)7-16-12)17-11-4-2-10(14)3-5-11/h2-8H,1H3/t8-/m0/s1
InChIKeyFYGXVJNUNHSSBK-QMMMGPOBSA-N
XLogP3.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-fluorophenoxy)pyrimidine
CID 4270915
1-(4-fluorophenoxy)ethanamine
CID 68874100
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-[2-[1-(4-fluorophenoxy)ethyl]phenyl]pyridine
CID 122364193
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
3-[1-(4-bromophenoxy)ethyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
CID 19637933
5-bromo-2-(1-phenylethoxy)pyrimidine
CID 63867238
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
CID 68710980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine?
The IUPAC name of 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine (CID 124729254) is 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine?
The canonical SMILES for 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine is C[C@H](Oc1ccc(F)cc1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine?
The InChIKey is FYGXVJNUNHSSBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-8(12-15-6-9(13)7-16-12)17-11-4-2-10(14)3-5-11/h2-8H,1H3/t8-/m0/s1.
What are the key properties of 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine?
5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine has a molecular weight of 297.13 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1S)-1-(4-fluorophenoxy)ethyl]pyrimidine is sourced from PubChem (CID 124729254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).