2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine

C16H17N5O2 — CID 14650376

IUPAC2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine
SMILESc1ccc(COc2cccc(OCCCc3nn[nH]n3)c2)nc1
InChIInChI=1S/C16H17N5O2/c1-2-9-17-13(5-1)12-23-15-7-3-6-14(11-15)22-10-4-8-16-18-20-21-19-16/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,19,20,21)
InChIKeyYMVLJKIYTQYDID-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.19
Rot. Bonds8

About 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine

2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine (PubChem CID 14650376) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine
PubChem CID14650376
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine
SMILESc1ccc(COc2cccc(OCCCc3nn[nH]n3)c2)nc1
InChIInChI=1S/C16H17N5O2/c1-2-9-17-13(5-1)12-23-15-7-3-6-14(11-15)22-10-4-8-16-18-20-21-19-16/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,19,20,21)
InChIKeyYMVLJKIYTQYDID-UHFFFAOYSA-N
XLogP2.19
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine (CID 14650376) is 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine is c1ccc(COc2cccc(OCCCc3nn[nH]n3)c2)nc1.
What is the InChIKey of 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine?
The InChIKey is YMVLJKIYTQYDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-9-17-13(5-1)12-23-15-7-3-6-14(11-15)22-10-4-8-16-18-20-21-19-16/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,19,20,21).
What are the key properties of 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine?
2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine has a molecular weight of 311.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine is sourced from PubChem (CID 14650376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).