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

C16H12ClN7 — CID 118978832

IUPAC3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCc1cc(-c2nn[nH]n2)ccc1-c1ncc(-n2ccnc2)cc1Cl
InChIInChI=1S/C16H12ClN7/c1-10-6-11(16-20-22-23-21-16)2-3-13(10)15-14(17)7-12(8-19-15)24-5-4-18-9-24/h2-9H,1H3,(H,20,21,22,23)
InChIKeyMYGMLGZTWSCVOX-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.08
Rot. Bonds3

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

3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 118978832) has the molecular formula C16H12ClN7 and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID118978832
Molecular FormulaC16H12ClN7
Molecular Weight337.77 g/mol
Exact Mass337.08
IUPAC Name3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCc1cc(-c2nn[nH]n2)ccc1-c1ncc(-n2ccnc2)cc1Cl
InChIInChI=1S/C16H12ClN7/c1-10-6-11(16-20-22-23-21-16)2-3-13(10)15-14(17)7-12(8-19-15)24-5-4-18-9-24/h2-9H,1H3,(H,20,21,22,23)
InChIKeyMYGMLGZTWSCVOX-UHFFFAOYSA-N
XLogP3.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.08
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-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine (CID 118978832) is 3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine is Cc1cc(-c2nn[nH]n2)ccc1-c1ncc(-n2ccnc2)cc1Cl.
What is the InChIKey of 3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is MYGMLGZTWSCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7/c1-10-6-11(16-20-22-23-21-16)2-3-13(10)15-14(17)7-12(8-19-15)24-5-4-18-9-24/h2-9H,1H3,(H,20,21,22,23).
What are the key properties of 3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine?
3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 337.77 g/mol, XLogP of 3.08, 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-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 118978832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).