3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine

C13H10FN5S — CID 3164590

IUPAC3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
SMILESFc1ccccc1CSc1nnnn1-c1cccnc1
InChIInChI=1S/C13H10FN5S/c14-12-6-2-1-4-10(12)9-20-13-16-17-18-19(13)11-5-3-7-15-8-11/h1-8H,9H2
InChIKeyNSRQUWWRNUWPCW-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.49
Rot. Bonds4

About 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine

3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine (PubChem CID 3164590) has the molecular formula C13H10FN5S and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
PubChem CID3164590
Molecular FormulaC13H10FN5S
Molecular Weight287.32 g/mol
Exact Mass287.06
IUPAC Name3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
SMILESFc1ccccc1CSc1nnnn1-c1cccnc1
InChIInChI=1S/C13H10FN5S/c14-12-6-2-1-4-10(12)9-20-13-16-17-18-19(13)11-5-3-7-15-8-11/h1-8H,9H2
InChIKeyNSRQUWWRNUWPCW-UHFFFAOYSA-N
XLogP2.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
CID 6460651
3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 2216369
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 35164812
2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
CID 4520504
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
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1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
CID 18231138
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
1-(3,4-dimethylphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylethanone
CID 1452321
3-[(2-fluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole
CID 6957225
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine?
The IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine (CID 3164590) is 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine.
What is the SMILES notation for 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine?
The canonical SMILES for 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine is Fc1ccccc1CSc1nnnn1-c1cccnc1.
What is the InChIKey of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine?
The InChIKey is NSRQUWWRNUWPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5S/c14-12-6-2-1-4-10(12)9-20-13-16-17-18-19(13)11-5-3-7-15-8-11/h1-8H,9H2.
What are the key properties of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine?
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine has a molecular weight of 287.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine is sourced from PubChem (CID 3164590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).