3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine

C14H10N4O2 — CID 155271804

IUPAC3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2cn[nH]c2)ccc1-c1cccnc1
InChIInChI=1S/C14H10N4O2/c19-18(20)14-6-10(12-8-16-17-9-12)3-4-13(14)11-2-1-5-15-7-11/h1-9H,(H,16,17)
InChIKeyVIRDRCKTPUHJIN-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.05
Rot. Bonds3

About 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine

3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine (PubChem CID 155271804) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine
PubChem CID155271804
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2cn[nH]c2)ccc1-c1cccnc1
InChIInChI=1S/C14H10N4O2/c19-18(20)14-6-10(12-8-16-17-9-12)3-4-13(14)11-2-1-5-15-7-11/h1-9H,(H,16,17)
InChIKeyVIRDRCKTPUHJIN-UHFFFAOYSA-N
XLogP3.05
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine?
The IUPAC name of 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine (CID 155271804) is 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine.
What is the SMILES notation for 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine?
The canonical SMILES for 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine is O=[N+]([O-])c1cc(-c2cn[nH]c2)ccc1-c1cccnc1.
What is the InChIKey of 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine?
The InChIKey is VIRDRCKTPUHJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)14-6-10(12-8-16-17-9-12)3-4-13(14)11-2-1-5-15-7-11/h1-9H,(H,16,17).
What are the key properties of 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine?
3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine has a molecular weight of 266.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine is sourced from PubChem (CID 155271804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).