5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine

C15H11ClN2O — CID 71818233

IUPAC5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine
SMILESCOc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
InChIInChI=1S/C15H11ClN2O/c1-19-12-4-2-10-3-5-13(15(16)14(10)6-12)11-7-17-9-18-8-11/h2-9H,1H3
InChIKeyXHTUSXVMRHUIGE-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.96
Rot. Bonds2

About 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine

5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine (PubChem CID 71818233) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine
PubChem CID71818233
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine
SMILESCOc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
InChIInChI=1S/C15H11ClN2O/c1-19-12-4-2-10-3-5-13(15(16)14(10)6-12)11-7-17-9-18-8-11/h2-9H,1H3
InChIKeyXHTUSXVMRHUIGE-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine?
The IUPAC name of 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine (CID 71818233) is 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine.
What is the SMILES notation for 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine?
The canonical SMILES for 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine is COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1.
What is the InChIKey of 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine?
The InChIKey is XHTUSXVMRHUIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-19-12-4-2-10-3-5-13(15(16)14(10)6-12)11-7-17-9-18-8-11/h2-9H,1H3.
What are the key properties of 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine?
5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine has a molecular weight of 270.72 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-7-methoxynaphthalen-2-yl)pyrimidine is sourced from PubChem (CID 71818233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).