2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine

C15H14ClN5S — CID 33453638

IUPAC2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
SMILESCc1ccc(-n2nnnc2SCc2ccc(Cl)nc2)cc1C
InChIInChI=1S/C15H14ClN5S/c1-10-3-5-13(7-11(10)2)21-15(18-19-20-21)22-9-12-4-6-14(16)17-8-12/h3-8H,9H2,1-2H3
InChIKeyOIDNPTZFKJVFRR-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.62
Rot. Bonds4

About 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine

2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine (PubChem CID 33453638) has the molecular formula C15H14ClN5S and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
PubChem CID33453638
Molecular FormulaC15H14ClN5S
Molecular Weight331.83 g/mol
Exact Mass331.07
IUPAC Name2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
SMILESCc1ccc(-n2nnnc2SCc2ccc(Cl)nc2)cc1C
InChIInChI=1S/C15H14ClN5S/c1-10-3-5-13(7-11(10)2)21-15(18-19-20-21)22-9-12-4-6-14(16)17-8-12/h3-8H,9H2,1-2H3
InChIKeyOIDNPTZFKJVFRR-UHFFFAOYSA-N
XLogP3.62
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.62
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

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-ethylphenyl)ethanone
CID 7661485
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
1-(3,4-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 26650844
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931391
N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26651016
1-(2,5-dimethylphenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7534577
3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 47068537
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
CID 17413738
4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-ethyl-1,3-thiazole
CID 18166238
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62044804
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine (CID 33453638) is 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine is Cc1ccc(-n2nnnc2SCc2ccc(Cl)nc2)cc1C.
What is the InChIKey of 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
The InChIKey is OIDNPTZFKJVFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5S/c1-10-3-5-13(7-11(10)2)21-15(18-19-20-21)22-9-12-4-6-14(16)17-8-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine?
2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine has a molecular weight of 331.83 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine is sourced from PubChem (CID 33453638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).