5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine

C14H7Br2ClN2O — CID 79076852

IUPAC5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
SMILESClc1ncc(Br)c(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C14H7Br2ClN2O/c15-10-3-1-9-6-11(4-2-8(9)5-10)20-13-12(16)7-18-14(17)19-13/h1-7H
InChIKeyRIOOHUBFMQTEEU-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.60
Rot. Bonds2

About 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine

5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine (PubChem CID 79076852) has the molecular formula C14H7Br2ClN2O and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine.

Molecular Properties

Compound Name5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
PubChem CID79076852
Molecular FormulaC14H7Br2ClN2O
Molecular Weight414.48 g/mol
Exact Mass411.86
IUPAC Name5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
SMILESClc1ncc(Br)c(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C14H7Br2ClN2O/c15-10-3-1-9-6-11(4-2-8(9)5-10)20-13-12(16)7-18-14(17)19-13/h1-7H
InChIKeyRIOOHUBFMQTEEU-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
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3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
CID 63506612
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
CID 80869770
2-(6-bromonaphthalen-2-yl)oxy-6-chloropyrazine
CID 60707948
5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
CID 79076865
2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
CID 63530476
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
5-(4-bromophenoxy)-2-chloropyrimidine
CID 117224632

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine?
The IUPAC name of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine (CID 79076852) is 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine.
What is the SMILES notation for 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine?
The canonical SMILES for 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine is Clc1ncc(Br)c(Oc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine?
The InChIKey is RIOOHUBFMQTEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2ClN2O/c15-10-3-1-9-6-11(4-2-8(9)5-10)20-13-12(16)7-18-14(17)19-13/h1-7H.
What are the key properties of 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine?
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine has a molecular weight of 414.48 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine is sourced from PubChem (CID 79076852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).