2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol

C14H11N3O3 — CID 136904315

IUPAC2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESCc1ccncc1-c1noc(-c2cc(O)ccc2O)n1
InChIInChI=1S/C14H11N3O3/c1-8-4-5-15-7-11(8)13-16-14(20-17-13)10-6-9(18)2-3-12(10)19/h2-7,18-19H,1H3
InChIKeyRVTPJGQQYIPGOM-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.52
Rot. Bonds2

About 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol

2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (PubChem CID 136904315) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
PubChem CID136904315
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESCc1ccncc1-c1noc(-c2cc(O)ccc2O)n1
InChIInChI=1S/C14H11N3O3/c1-8-4-5-15-7-11(8)13-16-14(20-17-13)10-6-9(18)2-3-12(10)19/h2-7,18-19H,1H3
InChIKeyRVTPJGQQYIPGOM-UHFFFAOYSA-N
XLogP2.52
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The IUPAC name of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (CID 136904315) is 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The canonical SMILES for 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is Cc1ccncc1-c1noc(-c2cc(O)ccc2O)n1.
What is the InChIKey of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The InChIKey is RVTPJGQQYIPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-4-5-15-7-11(8)13-16-14(20-17-13)10-6-9(18)2-3-12(10)19/h2-7,18-19H,1H3.
What are the key properties of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol has a molecular weight of 269.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is sourced from PubChem (CID 136904315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).