5-(4-bromophenoxy)-2-chloropyrimidine

C10H6BrClN2O — CID 117224632

IUPAC5-(4-bromophenoxy)-2-chloropyrimidine
SMILESClc1ncc(Oc2ccc(Br)cc2)cn1
InChIInChI=1S/C10H6BrClN2O/c11-7-1-3-8(4-2-7)15-9-5-13-10(12)14-6-9/h1-6H
InChIKeyLGKNJWBENGTWPA-UHFFFAOYSA-N
MW285.53 g/mol
LogP3.68
Rot. Bonds2

About 5-(4-bromophenoxy)-2-chloropyrimidine

5-(4-bromophenoxy)-2-chloropyrimidine (PubChem CID 117224632) has the molecular formula C10H6BrClN2O and a molecular weight of 285.53 g/mol. Its IUPAC name is 5-(4-bromophenoxy)-2-chloropyrimidine.

Molecular Properties

Compound Name5-(4-bromophenoxy)-2-chloropyrimidine
PubChem CID117224632
Molecular FormulaC10H6BrClN2O
Molecular Weight285.53 g/mol
Exact Mass283.94
IUPAC Name5-(4-bromophenoxy)-2-chloropyrimidine
SMILESClc1ncc(Oc2ccc(Br)cc2)cn1
InChIInChI=1S/C10H6BrClN2O/c11-7-1-3-8(4-2-7)15-9-5-13-10(12)14-6-9/h1-6H
InChIKeyLGKNJWBENGTWPA-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-(4-bromophenoxy)benzene
CID 16305
2-chloro-5-phenoxypyrimidine;N-methylmethanamine
CID 87411766
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
CID 3858351
2-bromo-5-(4-chlorophenoxy)pyridine
CID 102468097
1,3,5-tris(4-bromophenoxy)benzene
CID 102025054
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
5-[(5-bromo-1H-pyrazol-4-yl)oxy]-2-chloropyrimidine
CID 122480360
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
CID 79076852
4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine
CID 80864750
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(4-bromophenyl) hypochlorite
CID 141436103
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenoxy)-2-chloropyrimidine?
The IUPAC name of 5-(4-bromophenoxy)-2-chloropyrimidine (CID 117224632) is 5-(4-bromophenoxy)-2-chloropyrimidine.
What is the SMILES notation for 5-(4-bromophenoxy)-2-chloropyrimidine?
The canonical SMILES for 5-(4-bromophenoxy)-2-chloropyrimidine is Clc1ncc(Oc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromophenoxy)-2-chloropyrimidine?
The InChIKey is LGKNJWBENGTWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O/c11-7-1-3-8(4-2-7)15-9-5-13-10(12)14-6-9/h1-6H.
What are the key properties of 5-(4-bromophenoxy)-2-chloropyrimidine?
5-(4-bromophenoxy)-2-chloropyrimidine has a molecular weight of 285.53 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenoxy)-2-chloropyrimidine is sourced from PubChem (CID 117224632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).