4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine

C13H7ClN6O — CID 71240752

IUPAC4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine
SMILESClc1cc(-c2cc(-c3nn[nH]n3)ncn2)cc2ccoc12
InChIInChI=1S/C13H7ClN6O/c14-9-4-8(3-7-1-2-21-12(7)9)10-5-11(16-6-15-10)13-17-19-20-18-13/h1-6H,(H,17,18,19,20)
InChIKeyUYMGDARNGGNZBT-UHFFFAOYSA-N
MW298.69 g/mol
LogP2.72
Rot. Bonds2

About 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine

4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine (PubChem CID 71240752) has the molecular formula C13H7ClN6O and a molecular weight of 298.69 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine
PubChem CID71240752
Molecular FormulaC13H7ClN6O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine
SMILESClc1cc(-c2cc(-c3nn[nH]n3)ncn2)cc2ccoc12
InChIInChI=1S/C13H7ClN6O/c14-9-4-8(3-7-1-2-21-12(7)9)10-5-11(16-6-15-10)13-17-19-20-18-13/h1-6H,(H,17,18,19,20)
InChIKeyUYMGDARNGGNZBT-UHFFFAOYSA-N
XLogP2.72
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine?
The IUPAC name of 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine (CID 71240752) is 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine?
The canonical SMILES for 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine is Clc1cc(-c2cc(-c3nn[nH]n3)ncn2)cc2ccoc12.
What is the InChIKey of 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine?
The InChIKey is UYMGDARNGGNZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN6O/c14-9-4-8(3-7-1-2-21-12(7)9)10-5-11(16-6-15-10)13-17-19-20-18-13/h1-6H,(H,17,18,19,20).
What are the key properties of 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine?
4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine has a molecular weight of 298.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-5-yl)-6-(2H-tetrazol-5-yl)pyrimidine is sourced from PubChem (CID 71240752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).