3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine

C13H7ClF3N5S — CID 2460313

IUPAC3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Sc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H7ClF3N5S/c14-10-6-8(13(15,16)17)7-18-11(10)23-12-19-20-21-22(12)9-4-2-1-3-5-9/h1-7H
InChIKeyKYVWGHUACCYMQT-UHFFFAOYSA-N
MW357.75 g/mol
LogP3.88
Rot. Bonds3

About 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine

3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine (PubChem CID 2460313) has the molecular formula C13H7ClF3N5S and a molecular weight of 357.75 g/mol. Its IUPAC name is 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
PubChem CID2460313
Molecular FormulaC13H7ClF3N5S
Molecular Weight357.75 g/mol
Exact Mass357.01
IUPAC Name3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Sc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H7ClF3N5S/c14-10-6-8(13(15,16)17)7-18-11(10)23-12-19-20-21-22(12)9-4-2-1-3-5-9/h1-7H
InChIKeyKYVWGHUACCYMQT-UHFFFAOYSA-N
XLogP3.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine (CID 2460313) is 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Sc2nnnn2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine?
The InChIKey is KYVWGHUACCYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N5S/c14-10-6-8(13(15,16)17)7-18-11(10)23-12-19-20-21-22(12)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine?
3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine has a molecular weight of 357.75 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2460313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).