4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol

C13H10N4O4 — CID 170907890

IUPAC4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol
SMILESCc1cc([N+](=O)[O-])c(O)cc1Oc1ccn2ncnc2c1
InChIInChI=1S/C13H10N4O4/c1-8-4-10(17(19)20)11(18)6-12(8)21-9-2-3-16-13(5-9)14-7-15-16/h2-7,18H,1H3
InChIKeyPKKYGZFVJXFLNI-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.44
Rot. Bonds3

About 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol

4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol (PubChem CID 170907890) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol.

Molecular Properties

Compound Name4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol
PubChem CID170907890
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol
SMILESCc1cc([N+](=O)[O-])c(O)cc1Oc1ccn2ncnc2c1
InChIInChI=1S/C13H10N4O4/c1-8-4-10(17(19)20)11(18)6-12(8)21-9-2-3-16-13(5-9)14-7-15-16/h2-7,18H,1H3
InChIKeyPKKYGZFVJXFLNI-UHFFFAOYSA-N
XLogP2.44
TPSA102.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol?
The IUPAC name of 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol (CID 170907890) is 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol.
What is the SMILES notation for 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol?
The canonical SMILES for 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol is Cc1cc([N+](=O)[O-])c(O)cc1Oc1ccn2ncnc2c1.
What is the InChIKey of 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol?
The InChIKey is PKKYGZFVJXFLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c1-8-4-10(17(19)20)11(18)6-12(8)21-9-2-3-16-13(5-9)14-7-15-16/h2-7,18H,1H3.
What are the key properties of 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol?
4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol has a molecular weight of 286.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol is sourced from PubChem (CID 170907890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).