4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine

C14H8ClIN2O — CID 66319360

IUPAC4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine
SMILESClc1ccc(Oc2ncncc2I)c2ccccc12
InChIInChI=1S/C14H8ClIN2O/c15-11-5-6-13(10-4-2-1-3-9(10)11)19-14-12(16)7-17-8-18-14/h1-8H
InChIKeySQMDKNNJWXDDTF-UHFFFAOYSA-N
MW382.59 g/mol
LogP4.68
Rot. Bonds2

About 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine

4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine (PubChem CID 66319360) has the molecular formula C14H8ClIN2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine
PubChem CID66319360
Molecular FormulaC14H8ClIN2O
Molecular Weight382.59 g/mol
Exact Mass381.94
IUPAC Name4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine
SMILESClc1ccc(Oc2ncncc2I)c2ccccc12
InChIInChI=1S/C14H8ClIN2O/c15-11-5-6-13(10-4-2-1-3-9(10)11)19-14-12(16)7-17-8-18-14/h1-8H
InChIKeySQMDKNNJWXDDTF-UHFFFAOYSA-N
XLogP4.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine (CID 66319360) is 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine is Clc1ccc(Oc2ncncc2I)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine?
The InChIKey is SQMDKNNJWXDDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN2O/c15-11-5-6-13(10-4-2-1-3-9(10)11)19-14-12(16)7-17-8-18-14/h1-8H.
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine?
4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine has a molecular weight of 382.59 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxy-5-iodopyrimidine is sourced from PubChem (CID 66319360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).