2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine

C14H13N5O — CID 2140206

IUPAC2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine
SMILESCCOc1ccc(-n2nnnc2-c2ccccn2)cc1
InChIInChI=1S/C14H13N5O/c1-2-20-12-8-6-11(7-9-12)19-14(16-17-18-19)13-5-3-4-10-15-13/h3-10H,2H2,1H3
InChIKeyIIVFZCPCTHHCQI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.12
Rot. Bonds4

About 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine

2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine (PubChem CID 2140206) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine
PubChem CID2140206
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine
SMILESCCOc1ccc(-n2nnnc2-c2ccccn2)cc1
InChIInChI=1S/C14H13N5O/c1-2-20-12-8-6-11(7-9-12)19-14(16-17-18-19)13-5-3-4-10-15-13/h3-10H,2H2,1H3
InChIKeyIIVFZCPCTHHCQI-UHFFFAOYSA-N
XLogP2.12
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine (CID 2140206) is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine is CCOc1ccc(-n2nnnc2-c2ccccn2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine?
The InChIKey is IIVFZCPCTHHCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-20-12-8-6-11(7-9-12)19-14(16-17-18-19)13-5-3-4-10-15-13/h3-10H,2H2,1H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine?
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine has a molecular weight of 267.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 2140206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).