5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine

C12H6Cl2N2O — CID 105371641

IUPAC5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
SMILESClc1cncnc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H6Cl2N2O/c13-8-3-1-2-7-4-10(17-12(7)8)11-9(14)5-15-6-16-11/h1-6H
InChIKeyBIMYIBQQNLIQNT-UHFFFAOYSA-N
MW265.10 g/mol
LogP4.20
Rot. Bonds1

About 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine

5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine (PubChem CID 105371641) has the molecular formula C12H6Cl2N2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
PubChem CID105371641
Molecular FormulaC12H6Cl2N2O
Molecular Weight265.10 g/mol
Exact Mass263.99
IUPAC Name5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
SMILESClc1cncnc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H6Cl2N2O/c13-8-3-1-2-7-4-10(17-12(7)8)11-9(14)5-15-6-16-11/h1-6H
InChIKeyBIMYIBQQNLIQNT-UHFFFAOYSA-N
XLogP4.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine?
The IUPAC name of 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine (CID 105371641) is 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine?
The canonical SMILES for 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine is Clc1cncnc1-c1cc2cccc(Cl)c2o1.
What is the InChIKey of 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine?
The InChIKey is BIMYIBQQNLIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O/c13-8-3-1-2-7-4-10(17-12(7)8)11-9(14)5-15-6-16-11/h1-6H.
What are the key properties of 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine?
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine has a molecular weight of 265.10 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine is sourced from PubChem (CID 105371641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).