2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine

C13H10ClN5S — CID 18122497

IUPAC2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
SMILESClc1cccc(-n2nnnc2SCc2ccccn2)c1
InChIInChI=1S/C13H10ClN5S/c14-10-4-3-6-12(8-10)19-13(16-17-18-19)20-9-11-5-1-2-7-15-11/h1-8H,9H2
InChIKeyFKGFTSAREQHZCV-UHFFFAOYSA-N
MW303.78 g/mol
LogP3.00
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine

2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine (PubChem CID 18122497) has the molecular formula C13H10ClN5S and a molecular weight of 303.78 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
PubChem CID18122497
Molecular FormulaC13H10ClN5S
Molecular Weight303.78 g/mol
Exact Mass303.03
IUPAC Name2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
SMILESClc1cccc(-n2nnnc2SCc2ccccn2)c1
InChIInChI=1S/C13H10ClN5S/c14-10-4-3-6-12(8-10)19-13(16-17-18-19)20-9-11-5-1-2-7-15-11/h1-8H,9H2
InChIKeyFKGFTSAREQHZCV-UHFFFAOYSA-N
XLogP3.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
CID 38873350
8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
CID 38837928
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
(2R)-3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-2-methylpropanenitrile
CID 8860060
5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine
CID 13470595
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 62047182

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
The IUPAC name of 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine (CID 18122497) is 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
The canonical SMILES for 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine is Clc1cccc(-n2nnnc2SCc2ccccn2)c1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
The InChIKey is FKGFTSAREQHZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5S/c14-10-4-3-6-12(8-10)19-13(16-17-18-19)20-9-11-5-1-2-7-15-11/h1-8H,9H2.
What are the key properties of 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine has a molecular weight of 303.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine is sourced from PubChem (CID 18122497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).