2-(4-chlorophenyl)-3-nitropyridine

C11H7ClN2O2 — CID 2763866

IUPAC2-(4-chlorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2O2/c12-9-5-3-8(4-6-9)11-10(14(15)16)2-1-7-13-11/h1-7H
InChIKeyMRPFMKABLOJZPV-UHFFFAOYSA-N
MW234.64 g/mol
LogP3.31
Rot. Bonds2

About 2-(4-chlorophenyl)-3-nitropyridine

2-(4-chlorophenyl)-3-nitropyridine (PubChem CID 2763866) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-nitropyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-nitropyridine
PubChem CID2763866
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name2-(4-chlorophenyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2O2/c12-9-5-3-8(4-6-9)11-10(14(15)16)2-1-7-13-11/h1-7H
InChIKeyMRPFMKABLOJZPV-UHFFFAOYSA-N
XLogP3.31
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-chlorophenyl)-3-nitropyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-nitropyridine (CID 2763866) is 2-(4-chlorophenyl)-3-nitropyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-nitropyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-nitropyridine is O=[N+]([O-])c1cccnc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-nitropyridine?
The InChIKey is MRPFMKABLOJZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-9-5-3-8(4-6-9)11-10(14(15)16)2-1-7-13-11/h1-7H.
What are the key properties of 2-(4-chlorophenyl)-3-nitropyridine?
2-(4-chlorophenyl)-3-nitropyridine has a molecular weight of 234.64 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-nitropyridine is sourced from PubChem (CID 2763866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).