3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine

C15H10ClN7 — CID 118978773

IUPAC3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESClc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H10ClN7/c16-13-7-12(23-6-5-17-9-23)8-18-14(13)10-1-3-11(4-2-10)15-19-21-22-20-15/h1-9H,(H,19,20,21,22)
InChIKeyBSZAWRUQZWTMAV-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.77
Rot. Bonds3

About 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine

3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 118978773) has the molecular formula C15H10ClN7 and a molecular weight of 323.75 g/mol. Its IUPAC name is 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID118978773
Molecular FormulaC15H10ClN7
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC Name3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESClc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H10ClN7/c16-13-7-12(23-6-5-17-9-23)8-18-14(13)10-1-3-11(4-2-10)15-19-21-22-20-15/h1-9H,(H,19,20,21,22)
InChIKeyBSZAWRUQZWTMAV-UHFFFAOYSA-N
XLogP2.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine (CID 118978773) is 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine is Clc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is BSZAWRUQZWTMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN7/c16-13-7-12(23-6-5-17-9-23)8-18-14(13)10-1-3-11(4-2-10)15-19-21-22-20-15/h1-9H,(H,19,20,21,22).
What are the key properties of 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 323.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 118978773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).