5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine

C10H4Br2F2N2O — CID 107099541

IUPAC5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
SMILESFc1cc(Br)cc(Oc2ncncc2Br)c1F
InChIInChI=1S/C10H4Br2F2N2O/c11-5-1-7(13)9(14)8(2-5)17-10-6(12)3-15-4-16-10/h1-4H
InChIKeyNMRPAAAYDPBGAH-UHFFFAOYSA-N
MW365.96 g/mol
LogP4.07
Rot. Bonds2

About 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine

5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine (PubChem CID 107099541) has the molecular formula C10H4Br2F2N2O and a molecular weight of 365.96 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
PubChem CID107099541
Molecular FormulaC10H4Br2F2N2O
Molecular Weight365.96 g/mol
Exact Mass363.87
IUPAC Name5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
SMILESFc1cc(Br)cc(Oc2ncncc2Br)c1F
InChIInChI=1S/C10H4Br2F2N2O/c11-5-1-7(13)9(14)8(2-5)17-10-6(12)3-15-4-16-10/h1-4H
InChIKeyNMRPAAAYDPBGAH-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.96
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
4-(5-bromo-2,3-difluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 107097443
4-(5-bromo-2,3-difluorophenoxy)-6-propoxypyrimidin-5-amine
CID 107097377
2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine
CID 107099203
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
CID 83235339
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
CID 107098107
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
5-amino-2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxamide
CID 107097469
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine
CID 107099666
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine (CID 107099541) is 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine is Fc1cc(Br)cc(Oc2ncncc2Br)c1F.
What is the InChIKey of 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine?
The InChIKey is NMRPAAAYDPBGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2F2N2O/c11-5-1-7(13)9(14)8(2-5)17-10-6(12)3-15-4-16-10/h1-4H.
What are the key properties of 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine?
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine has a molecular weight of 365.96 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine is sourced from PubChem (CID 107099541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).