3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole

C13H9FN4O2 — CID 58371878

IUPAC3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole
SMILESCn1nc(-c2ccnc(F)c2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H9FN4O2/c1-17-11-3-2-9(18(19)20)7-10(11)13(16-17)8-4-5-15-12(14)6-8/h2-7H,1H3
InChIKeyQDMMVLIPXAYIEK-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.68
Rot. Bonds2

About 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole

3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole (PubChem CID 58371878) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole
PubChem CID58371878
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole
SMILESCn1nc(-c2ccnc(F)c2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H9FN4O2/c1-17-11-3-2-9(18(19)20)7-10(11)13(16-17)8-4-5-15-12(14)6-8/h2-7H,1H3
InChIKeyQDMMVLIPXAYIEK-UHFFFAOYSA-N
XLogP2.68
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole (CID 58371878) is 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole is Cn1nc(-c2ccnc(F)c2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole?
The InChIKey is QDMMVLIPXAYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c1-17-11-3-2-9(18(19)20)7-10(11)13(16-17)8-4-5-15-12(14)6-8/h2-7H,1H3.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole?
3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole has a molecular weight of 272.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-1-methyl-5-nitroindazole is sourced from PubChem (CID 58371878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).