2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine

C21H19N5O — CID 14950495

IUPAC2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)n1
InChIInChI=1S/C21H19N5O/c1-14-11-18(12-15(2)22-14)27-13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)21-23-25-26-24-21/h3-12H,13H2,1-2H3,(H,23,24,25,26)
InChIKeyQCQPKZDFYCKSSB-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.12
Rot. Bonds5

About 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine

2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine (PubChem CID 14950495) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
PubChem CID14950495
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)n1
InChIInChI=1S/C21H19N5O/c1-14-11-18(12-15(2)22-14)27-13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)21-23-25-26-24-21/h3-12H,13H2,1-2H3,(H,23,24,25,26)
InChIKeyQCQPKZDFYCKSSB-UHFFFAOYSA-N
XLogP4.12
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The IUPAC name of 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine (CID 14950495) is 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine.
What is the SMILES notation for 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The canonical SMILES for 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine is Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The InChIKey is QCQPKZDFYCKSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-11-18(12-15(2)22-14)27-13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)21-23-25-26-24-21/h3-12H,13H2,1-2H3,(H,23,24,25,26).
What are the key properties of 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine has a molecular weight of 357.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine is sourced from PubChem (CID 14950495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).