2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine

C15H11FN4O3 — CID 70038757

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C15H11FN4O3/c16-12-5-2-1-4-11(12)10-19-9-7-14(18-19)23-15-13(20(21)22)6-3-8-17-15/h1-9H,10H2
InChIKeyGUZQPDJULDKMRB-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.17
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine

2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine (PubChem CID 70038757) has the molecular formula C15H11FN4O3 and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine
PubChem CID70038757
Molecular FormulaC15H11FN4O3
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C15H11FN4O3/c16-12-5-2-1-4-11(12)10-19-9-7-14(18-19)23-15-13(20(21)22)6-3-8-17-15/h1-9H,10H2
InChIKeyGUZQPDJULDKMRB-UHFFFAOYSA-N
XLogP3.17
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.17
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

CID 145967923
CID 145967923
CID 2800961
CID 2800961
CID 15786626
CID 15786626
CID 16044216
CID 16044216
CID 21882757
CID 21882757
CID 22472972
CID 22472972
CID 57443268
CID 57443268
CID 59371218
CID 59371218
CID 59371219
CID 59371219
CID 67231170
CID 67231170
CID 68703416
CID 68703416
CID 69568810
CID 69568810

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine (CID 70038757) is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine is O=[N+]([O-])c1cccnc1Oc1ccn(Cc2ccccc2F)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine?
The InChIKey is GUZQPDJULDKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3/c16-12-5-2-1-4-11(12)10-19-9-7-14(18-19)23-15-13(20(21)22)6-3-8-17-15/h1-9H,10H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine?
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine has a molecular weight of 314.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]oxy-3-nitropyridine is sourced from PubChem (CID 70038757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).