3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole

C7H3ClN4O3S — CID 14182087

IUPAC3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cccnc1Sc1nc(Cl)no1
InChIInChI=1S/C7H3ClN4O3S/c8-6-10-7(15-11-6)16-5-4(12(13)14)2-1-3-9-5/h1-3H
InChIKeyIVDMTCUDVZIJED-UHFFFAOYSA-N
MW258.65 g/mol
LogP2.18
Rot. Bonds3

About 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole

3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole (PubChem CID 14182087) has the molecular formula C7H3ClN4O3S and a molecular weight of 258.65 g/mol. Its IUPAC name is 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole
PubChem CID14182087
Molecular FormulaC7H3ClN4O3S
Molecular Weight258.65 g/mol
Exact Mass257.96
IUPAC Name3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cccnc1Sc1nc(Cl)no1
InChIInChI=1S/C7H3ClN4O3S/c8-6-10-7(15-11-6)16-5-4(12(13)14)2-1-3-9-5/h1-3H
InChIKeyIVDMTCUDVZIJED-UHFFFAOYSA-N
XLogP2.18
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
CID 6493026
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
CID 9337532
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine
CID 15141760
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
CID 56810536
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
2-methylsulfanyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 17399569
2-(3-chloro-2-methylpropyl)sulfanyl-3-nitropyridine
CID 66103569
5-[(3-nitro-2-pyridinyl)sulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2765811
[amino-[(3-nitro-2-pyridinyl)sulfanyl]methylidene]azanium chloride
CID 134101557
3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-indole
CID 12542674

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole (CID 14182087) is 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole is O=[N+]([O-])c1cccnc1Sc1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole?
The InChIKey is IVDMTCUDVZIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4O3S/c8-6-10-7(15-11-6)16-5-4(12(13)14)2-1-3-9-5/h1-3H.
What are the key properties of 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole?
3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole has a molecular weight of 258.65 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole is sourced from PubChem (CID 14182087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).