4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol

C12H8FN5OS — CID 62733252

IUPAC4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2Sc2ncccc2F)cc1
InChIInChI=1S/C12H8FN5OS/c13-10-2-1-7-14-11(10)20-12-15-16-17-18(12)8-3-5-9(19)6-4-8/h1-7,19H
InChIKeyABPAXGRJMYBKJF-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.05
Rot. Bonds3

About 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol

4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol (PubChem CID 62733252) has the molecular formula C12H8FN5OS and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
PubChem CID62733252
Molecular FormulaC12H8FN5OS
Molecular Weight289.30 g/mol
Exact Mass289.04
IUPAC Name4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2Sc2ncccc2F)cc1
InChIInChI=1S/C12H8FN5OS/c13-10-2-1-7-14-11(10)20-12-15-16-17-18(12)8-3-5-9(19)6-4-8/h1-7,19H
InChIKeyABPAXGRJMYBKJF-UHFFFAOYSA-N
XLogP2.05
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol (CID 62733252) is 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2Sc2ncccc2F)cc1.
What is the InChIKey of 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The InChIKey is ABPAXGRJMYBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5OS/c13-10-2-1-7-14-11(10)20-12-15-16-17-18(12)8-3-5-9(19)6-4-8/h1-7,19H.
What are the key properties of 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol has a molecular weight of 289.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-fluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 62733252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).