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

C12H7F2N5OS — CID 115993983

IUPAC4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2Sc2ncc(F)cc2F)cc1
InChIInChI=1S/C12H7F2N5OS/c13-7-5-10(14)11(15-6-7)21-12-16-17-18-19(12)8-1-3-9(20)4-2-8/h1-6,20H
InChIKeyFUSKHVBPVUSUOF-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.19
Rot. Bonds3

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

4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol (PubChem CID 115993983) has the molecular formula C12H7F2N5OS and a molecular weight of 307.29 g/mol. Its IUPAC name is 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
PubChem CID115993983
Molecular FormulaC12H7F2N5OS
Molecular Weight307.29 g/mol
Exact Mass307.03
IUPAC Name4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2Sc2ncc(F)cc2F)cc1
InChIInChI=1S/C12H7F2N5OS/c13-7-5-10(14)11(15-6-7)21-12-16-17-18-19(12)8-1-3-9(20)4-2-8/h1-6,20H
InChIKeyFUSKHVBPVUSUOF-UHFFFAOYSA-N
XLogP2.19
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol (CID 115993983) is 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2Sc2ncc(F)cc2F)cc1.
What is the InChIKey of 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The InChIKey is FUSKHVBPVUSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N5OS/c13-7-5-10(14)11(15-6-7)21-12-16-17-18-19(12)8-1-3-9(20)4-2-8/h1-6,20H.
What are the key properties of 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol has a molecular weight of 307.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,5-difluoro-2-pyridinyl)sulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 115993983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).