4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine

C10H5BrF2N2O — CID 83231218

IUPAC4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
SMILESFc1cc(Oc2ccc(F)c(Br)c2)ncn1
InChIInChI=1S/C10H5BrF2N2O/c11-7-3-6(1-2-8(7)12)16-10-4-9(13)14-5-15-10/h1-5H
InChIKeyZWOWJSOANHSTIF-UHFFFAOYSA-N
MW287.06 g/mol
LogP3.31
Rot. Bonds2

About 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine

4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine (PubChem CID 83231218) has the molecular formula C10H5BrF2N2O and a molecular weight of 287.06 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
PubChem CID83231218
Molecular FormulaC10H5BrF2N2O
Molecular Weight287.06 g/mol
Exact Mass285.96
IUPAC Name4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
SMILESFc1cc(Oc2ccc(F)c(Br)c2)ncn1
InChIInChI=1S/C10H5BrF2N2O/c11-7-3-6(1-2-8(7)12)16-10-4-9(13)14-5-15-10/h1-5H
InChIKeyZWOWJSOANHSTIF-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 83236952
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
4-fluoro-6-(3-fluorophenoxy)pyrimidine
CID 115416111
2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 83235033
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
CID 83235339
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137
6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile
CID 133435042
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole
CID 83234277
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine (CID 83231218) is 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine is Fc1cc(Oc2ccc(F)c(Br)c2)ncn1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine?
The InChIKey is ZWOWJSOANHSTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N2O/c11-7-3-6(1-2-8(7)12)16-10-4-9(13)14-5-15-10/h1-5H.
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine?
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine has a molecular weight of 287.06 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine is sourced from PubChem (CID 83231218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).