5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine

C19H15FN6 — CID 69151599

IUPAC5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine
SMILESCc1ccc(Cc2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1
InChIInChI=1S/C19H15FN6/c1-13-5-6-14(12-22-13)8-15-9-16(20)11-17(10-15)26-24-19(23-25-26)18-4-2-3-7-21-18/h2-7,9-12H,8H2,1H3
InChIKeyYNFIPSJOFYABSN-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.16
Rot. Bonds4

About 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine

5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine (PubChem CID 69151599) has the molecular formula C19H15FN6 and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine
PubChem CID69151599
Molecular FormulaC19H15FN6
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC Name5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine
SMILESCc1ccc(Cc2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1
InChIInChI=1S/C19H15FN6/c1-13-5-6-14(12-22-13)8-15-9-16(20)11-17(10-15)26-24-19(23-25-26)18-4-2-3-7-21-18/h2-7,9-12H,8H2,1H3
InChIKeyYNFIPSJOFYABSN-UHFFFAOYSA-N
XLogP3.16
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine?
The IUPAC name of 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine (CID 69151599) is 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine.
What is the SMILES notation for 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine?
The canonical SMILES for 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine is Cc1ccc(Cc2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1.
What is the InChIKey of 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine?
The InChIKey is YNFIPSJOFYABSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6/c1-13-5-6-14(12-22-13)8-15-9-16(20)11-17(10-15)26-24-19(23-25-26)18-4-2-3-7-21-18/h2-7,9-12H,8H2,1H3.
What are the key properties of 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine?
5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine has a molecular weight of 346.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine is sourced from PubChem (CID 69151599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).