2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine

C19H11F4N5O — CID 10237675

IUPAC2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine
SMILESFc1cc(-c2cccc(OC(F)(F)F)c2)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H11F4N5O/c20-14-8-13(12-4-3-5-16(10-12)29-19(21,22)23)9-15(11-14)28-26-18(25-27-28)17-6-1-2-7-24-17/h1-11H
InChIKeyUDJVWQYNMFJDRN-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.43
Rot. Bonds4

About 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine

2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine (PubChem CID 10237675) has the molecular formula C19H11F4N5O and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine
PubChem CID10237675
Molecular FormulaC19H11F4N5O
Molecular Weight401.32 g/mol
Exact Mass401.09
IUPAC Name2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine
SMILESFc1cc(-c2cccc(OC(F)(F)F)c2)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H11F4N5O/c20-14-8-13(12-4-3-5-16(10-12)29-19(21,22)23)9-15(11-14)28-26-18(25-27-28)17-6-1-2-7-24-17/h1-11H
InChIKeyUDJVWQYNMFJDRN-UHFFFAOYSA-N
XLogP4.43
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Quilseconazole
CID 91886002
2-[2-(2''''-Ethoxy-5-fluoro-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 10150237
2-[2-(2''''-Methoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 10308678
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
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
2-[2-(2''''-Trifluoromethoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395684

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine (CID 10237675) is 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine is Fc1cc(-c2cccc(OC(F)(F)F)c2)cc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine?
The InChIKey is UDJVWQYNMFJDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N5O/c20-14-8-13(12-4-3-5-16(10-12)29-19(21,22)23)9-15(11-14)28-26-18(25-27-28)17-6-1-2-7-24-17/h1-11H.
What are the key properties of 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine?
2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine has a molecular weight of 401.32 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 10237675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).