7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one

C13H10FN5O3 — CID 142346161

IUPAC7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one
SMILESCn1nc2c(-c3cc([N+](=O)[O-])ccc3F)cn(C)c(=O)c2n1
InChIInChI=1S/C13H10FN5O3/c1-17-6-9(11-12(13(17)20)16-18(2)15-11)8-5-7(19(21)22)3-4-10(8)14/h3-6H,1-2H3
InChIKeyOGKIRQOHZBZOPO-UHFFFAOYSA-N
MW303.25 g/mol
LogP1.38
Rot. Bonds2

About 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one

7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one (PubChem CID 142346161) has the molecular formula C13H10FN5O3 and a molecular weight of 303.25 g/mol. Its IUPAC name is 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one
PubChem CID142346161
Molecular FormulaC13H10FN5O3
Molecular Weight303.25 g/mol
Exact Mass303.08
IUPAC Name7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one
SMILESCn1nc2c(-c3cc([N+](=O)[O-])ccc3F)cn(C)c(=O)c2n1
InChIInChI=1S/C13H10FN5O3/c1-17-6-9(11-12(13(17)20)16-18(2)15-11)8-5-7(19(21)22)3-4-10(8)14/h3-6H,1-2H3
InChIKeyOGKIRQOHZBZOPO-UHFFFAOYSA-N
XLogP1.38
TPSA95.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one?
The IUPAC name of 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one (CID 142346161) is 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one is Cn1nc2c(-c3cc([N+](=O)[O-])ccc3F)cn(C)c(=O)c2n1.
What is the InChIKey of 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one?
The InChIKey is OGKIRQOHZBZOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O3/c1-17-6-9(11-12(13(17)20)16-18(2)15-11)8-5-7(19(21)22)3-4-10(8)14/h3-6H,1-2H3.
What are the key properties of 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one?
7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one has a molecular weight of 303.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-5-nitrophenyl)-2,5-dimethyltriazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 142346161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).