2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine

C20H16FN5O — CID 1264276

IUPAC2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine
SMILESFc1ccccc1COc1ccc(-c2nnn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C20H16FN5O/c21-19-7-2-1-5-16(19)14-27-18-10-8-15(9-11-18)20-23-25-26(24-20)13-17-6-3-4-12-22-17/h1-12H,13-14H2
InChIKeyWCZHCDCKOLBDOL-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.50
Rot. Bonds6

About 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine

2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine (PubChem CID 1264276) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine
PubChem CID1264276
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine
SMILESFc1ccccc1COc1ccc(-c2nnn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C20H16FN5O/c21-19-7-2-1-5-16(19)14-27-18-10-8-15(9-11-18)20-23-25-26(24-20)13-17-6-3-4-12-22-17/h1-12H,13-14H2
InChIKeyWCZHCDCKOLBDOL-UHFFFAOYSA-N
XLogP3.50
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine?
The IUPAC name of 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine (CID 1264276) is 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine is Fc1ccccc1COc1ccc(-c2nnn(Cc3ccccn3)n2)cc1.
What is the InChIKey of 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine?
The InChIKey is WCZHCDCKOLBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-19-7-2-1-5-16(19)14-27-18-10-8-15(9-11-18)20-23-25-26(24-20)13-17-6-3-4-12-22-17/h1-12H,13-14H2.
What are the key properties of 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine?
2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine has a molecular weight of 361.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]methyl]pyridine is sourced from PubChem (CID 1264276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).