7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine

C13H9FN4O3 — CID 166029242

IUPAC7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(F)ccc([N+](=O)[O-])c1Oc1ccn2ncnc2c1
InChIInChI=1S/C13H9FN4O3/c1-8-10(14)2-3-11(18(19)20)13(8)21-9-4-5-17-12(6-9)15-7-16-17/h2-7H,1H3
InChIKeyQCUCBFUVJNHOKL-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.88
Rot. Bonds3

About 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine

7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 166029242) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID166029242
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(F)ccc([N+](=O)[O-])c1Oc1ccn2ncnc2c1
InChIInChI=1S/C13H9FN4O3/c1-8-10(14)2-3-11(18(19)20)13(8)21-9-4-5-17-12(6-9)15-7-16-17/h2-7H,1H3
InChIKeyQCUCBFUVJNHOKL-UHFFFAOYSA-N
XLogP2.88
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

7-(3-fluoro-2-methyl-6-nitrophenoxy)-3-methylimidazo[1,2-a]pyridine
CID 166028890
4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol
CID 170907890
CID 167552958
CID 167552958
N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine
CID 162431830
2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline
CID 146249323
7-[2-(dimethylamino)ethoxy]-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine
CID 162431857
7-[2-(dimethylamino)ethoxy]-N-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine
CID 162432015
7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
CID 171444719
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine;ethane
CID 162431802
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-[2-(dimethylamino)ethoxy]-6-nitroquinazolin-4-amine
CID 162431884
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
6-fluoro-2-methyl-3-nitrobenzenethiol
CID 130849844

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 166029242) is 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(F)ccc([N+](=O)[O-])c1Oc1ccn2ncnc2c1.
What is the InChIKey of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QCUCBFUVJNHOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c1-8-10(14)2-3-11(18(19)20)13(8)21-9-4-5-17-12(6-9)15-7-16-17/h2-7H,1H3.
What are the key properties of 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 288.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 166029242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).