2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine

C13H10ClN5S — CID 62047182

IUPAC2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESClc1cc(CSc2nnnn2-c2ccccc2)ccn1
InChIInChI=1S/C13H10ClN5S/c14-12-8-10(6-7-15-12)9-20-13-16-17-18-19(13)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyYLCNEFJRGZPGBJ-UHFFFAOYSA-N
MW303.78 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine

2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine (PubChem CID 62047182) has the molecular formula C13H10ClN5S and a molecular weight of 303.78 g/mol. Its IUPAC name is 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
PubChem CID62047182
Molecular FormulaC13H10ClN5S
Molecular Weight303.78 g/mol
Exact Mass303.03
IUPAC Name2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
SMILESClc1cc(CSc2nnnn2-c2ccccc2)ccn1
InChIInChI=1S/C13H10ClN5S/c14-12-8-10(6-7-15-12)9-20-13-16-17-18-19(13)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyYLCNEFJRGZPGBJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62044804
5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole
CID 2231014
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-2,1,3-benzothiadiazole
CID 836981
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]anthracene-9,10-dione
CID 71343927
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
CID 7856912
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 27309581
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 35164812
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
CID 52561620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine (CID 62047182) is 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine is Clc1cc(CSc2nnnn2-c2ccccc2)ccn1.
What is the InChIKey of 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
The InChIKey is YLCNEFJRGZPGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5S/c14-12-8-10(6-7-15-12)9-20-13-16-17-18-19(13)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine?
2-chloro-4-[(1-phenyltetrazol-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-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 62047182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).