4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol

C13H10BrN5OS — CID 115622324

IUPAC4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H10BrN5OS/c14-9-1-2-10(15-7-9)8-21-13-16-17-18-19(13)11-3-5-12(20)6-4-11/h1-7,20H,8H2
InChIKeyTYKMSBWKEJOBKQ-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.82
Rot. Bonds4

About 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 115622324) has the molecular formula C13H10BrN5OS and a molecular weight of 364.23 g/mol. Its IUPAC name is 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID115622324
Molecular FormulaC13H10BrN5OS
Molecular Weight364.23 g/mol
Exact Mass362.98
IUPAC Name4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H10BrN5OS/c14-9-1-2-10(15-7-9)8-21-13-16-17-18-19(13)11-3-5-12(20)6-4-11/h1-7,20H,8H2
InChIKeyTYKMSBWKEJOBKQ-UHFFFAOYSA-N
XLogP2.82
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
1-(4-bromophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 4814776
2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 113454341
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 60652367
4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62044804
methyl 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]acetate
CID 113454057
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746
5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935
4-[5-(4-aminobut-2-enylsulfanyl)tetrazol-1-yl]phenol
CID 77110422
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol (CID 115622324) is 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2SCc2ccc(Br)cn2)cc1.
What is the InChIKey of 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is TYKMSBWKEJOBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5OS/c14-9-1-2-10(15-7-9)8-21-13-16-17-18-19(13)11-3-5-12(20)6-4-11/h1-7,20H,8H2.
What are the key properties of 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 364.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 115622324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).