3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine

C13H10FN5 — CID 16763011

IUPAC3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
SMILESFc1ccc(Cn2nnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C13H10FN5/c14-12-5-3-10(4-6-12)9-19-17-13(16-18-19)11-2-1-7-15-8-11/h1-8H,9H2
InChIKeyHJWPVAHCUVUSAB-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.92
Rot. Bonds3

About 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine

3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine (PubChem CID 16763011) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
PubChem CID16763011
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
SMILESFc1ccc(Cn2nnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C13H10FN5/c14-12-5-3-10(4-6-12)9-19-17-13(16-18-19)11-2-1-7-15-8-11/h1-8H,9H2
InChIKeyHJWPVAHCUVUSAB-UHFFFAOYSA-N
XLogP1.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine (CID 16763011) is 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine is Fc1ccc(Cn2nnc(-c3cccnc3)n2)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine?
The InChIKey is HJWPVAHCUVUSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-12-5-3-10(4-6-12)9-19-17-13(16-18-19)11-2-1-7-15-8-11/h1-8H,9H2.
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine?
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine has a molecular weight of 255.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 16763011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).