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

C15H10ClN7 — CID 118978848

IUPAC2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
SMILESClc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C15H10ClN7/c16-13-7-10(15-19-21-22-20-15)1-3-12(13)14-4-2-11(8-18-14)23-6-5-17-9-23/h1-9H,(H,19,20,21,22)
InChIKeyRCRFEPWGACFMBX-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.77
Rot. Bonds3

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

2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine (PubChem CID 118978848) has the molecular formula C15H10ClN7 and a molecular weight of 323.75 g/mol. Its IUPAC name is 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine.

Molecular Properties

Compound Name2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
PubChem CID118978848
Molecular FormulaC15H10ClN7
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC Name2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
SMILESClc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C15H10ClN7/c16-13-7-10(15-19-21-22-20-15)1-3-12(13)14-4-2-11(8-18-14)23-6-5-17-9-23/h1-9H,(H,19,20,21,22)
InChIKeyRCRFEPWGACFMBX-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 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The IUPAC name of 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine (CID 118978848) is 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine.
What is the SMILES notation for 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The canonical SMILES for 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine is Clc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cn1.
What is the InChIKey of 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The InChIKey is RCRFEPWGACFMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN7/c16-13-7-10(15-19-21-22-20-15)1-3-12(13)14-4-2-11(8-18-14)23-6-5-17-9-23/h1-9H,(H,19,20,21,22).
What are the key properties of 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine 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 2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine is sourced from PubChem (CID 118978848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).