2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine

C20H16FN5O — CID 10150237

IUPAC2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine
SMILESCCOc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H16FN5O/c1-2-27-19-9-4-3-7-17(19)14-11-15(21)13-16(12-14)26-24-20(23-25-26)18-8-5-6-10-22-18/h3-13H,2H2,1H3
InChIKeyMDOUHMAMLHPZGT-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.93
Rot. Bonds5

About 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine

2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine (PubChem CID 10150237) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine
PubChem CID10150237
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine
SMILESCCOc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H16FN5O/c1-2-27-19-9-4-3-7-17(19)14-11-15(21)13-16(12-14)26-24-20(23-25-26)18-8-5-6-10-22-18/h3-13H,2H2,1H3
InChIKeyMDOUHMAMLHPZGT-UHFFFAOYSA-N
XLogP3.93
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2''''-Methoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 10308678
5-(3-(4-(4-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11538526
5-(3-(4-(3-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11618185
2-[2-(2''''-Phenoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395489
2-[2-(5-Fluoro-2''''-methoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395504
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395532
2-[2-(5-Fluoro-2''''-phenoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395613
2-[2-(2''''-Ethoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395630
2-[2-(3-Phenoxy-phenyl)-2H-tetrazol-5-yl]-pyridine
CID 44395657
3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395661
2-[2-[3-(2-Methoxy-5-methylphenyl)phenyl]tetrazol-5-yl]pyridine
CID 44395665
2-[2-(5-Fluoro-2''''-trifluoromethoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395676

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine (CID 10150237) is 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine is CCOc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine?
The InChIKey is MDOUHMAMLHPZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-2-27-19-9-4-3-7-17(19)14-11-15(21)13-16(12-14)26-24-20(23-25-26)18-8-5-6-10-22-18/h3-13H,2H2,1H3.
What are the key properties of 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine?
2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine has a molecular weight of 361.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 10150237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).