2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine

C22H21N5O — CID 14950501

IUPAC2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C)c(C)n1
InChIInChI=1S/C22H21N5O/c1-14-12-21(15(2)16(3)23-14)28-13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27)
InChIKeyBOLGXKCIKRIVNY-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.43
Rot. Bonds5

About 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine

2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine (PubChem CID 14950501) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
PubChem CID14950501
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C)c(C)n1
InChIInChI=1S/C22H21N5O/c1-14-12-21(15(2)16(3)23-14)28-13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27)
InChIKeyBOLGXKCIKRIVNY-UHFFFAOYSA-N
XLogP4.43
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The IUPAC name of 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine (CID 14950501) is 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine.
What is the SMILES notation for 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The canonical SMILES for 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine is Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C)c(C)n1.
What is the InChIKey of 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The InChIKey is BOLGXKCIKRIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-12-21(15(2)16(3)23-14)28-13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27).
What are the key properties of 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine has a molecular weight of 371.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine is sourced from PubChem (CID 14950501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).