5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine

C12H13FN4O4 — CID 168935635

IUPAC5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine
SMILESCOCC(c1cc(F)cnc1OC)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H13FN4O4/c1-20-7-11(16-6-9(5-15-16)17(18)19)10-3-8(13)4-14-12(10)21-2/h3-6,11H,7H2,1-2H3
InChIKeyLYZBBMJLGHSQTM-UHFFFAOYSA-N
MW296.26 g/mol
LogP1.57
Rot. Bonds6

About 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine

5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine (PubChem CID 168935635) has the molecular formula C12H13FN4O4 and a molecular weight of 296.26 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine
PubChem CID168935635
Molecular FormulaC12H13FN4O4
Molecular Weight296.26 g/mol
Exact Mass296.09
IUPAC Name5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine
SMILESCOCC(c1cc(F)cnc1OC)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H13FN4O4/c1-20-7-11(16-6-9(5-15-16)17(18)19)10-3-8(13)4-14-12(10)21-2/h3-6,11H,7H2,1-2H3
InChIKeyLYZBBMJLGHSQTM-UHFFFAOYSA-N
XLogP1.57
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 51.57
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 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine?
The IUPAC name of 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine (CID 168935635) is 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine is COCC(c1cc(F)cnc1OC)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine?
The InChIKey is LYZBBMJLGHSQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O4/c1-20-7-11(16-6-9(5-15-16)17(18)19)10-3-8(13)4-14-12(10)21-2/h3-6,11H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine?
5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine has a molecular weight of 296.26 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-[2-methoxy-1-(4-nitropyrazol-1-yl)ethyl]pyridine is sourced from PubChem (CID 168935635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).