2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine

C16H12FN7 — CID 118978732

IUPAC2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine
SMILESCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C16H12FN7/c1-10-6-12(24-5-4-18-9-24)8-19-15(10)13-3-2-11(7-14(13)17)16-20-22-23-21-16/h2-9H,1H3,(H,20,21,22,23)
InChIKeyVDTXKLCYUXDALV-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.56
Rot. Bonds3

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

2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine (PubChem CID 118978732) has the molecular formula C16H12FN7 and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine.

Molecular Properties

Compound Name2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine
PubChem CID118978732
Molecular FormulaC16H12FN7
Molecular Weight321.32 g/mol
Exact Mass321.11
IUPAC Name2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine
SMILESCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C16H12FN7/c1-10-6-12(24-5-4-18-9-24)8-19-15(10)13-3-2-11(7-14(13)17)16-20-22-23-21-16/h2-9H,1H3,(H,20,21,22,23)
InChIKeyVDTXKLCYUXDALV-UHFFFAOYSA-N
XLogP2.56
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine?
The IUPAC name of 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine (CID 118978732) is 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine.
What is the SMILES notation for 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine?
The canonical SMILES for 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine is Cc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine?
The InChIKey is VDTXKLCYUXDALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7/c1-10-6-12(24-5-4-18-9-24)8-19-15(10)13-3-2-11(7-14(13)17)16-20-22-23-21-16/h2-9H,1H3,(H,20,21,22,23).
What are the key properties of 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine?
2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine has a molecular weight of 321.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine is sourced from PubChem (CID 118978732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).