2-chloro-5-nitro-3-phenylpyridine

C11H7ClN2O2 — CID 46314698

IUPAC2-chloro-5-nitro-3-phenylpyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C11H7ClN2O2/c12-11-10(8-4-2-1-3-5-8)6-9(7-13-11)14(15)16/h1-7H
InChIKeyNBOFTXBTCLHAJL-UHFFFAOYSA-N
MW234.64 g/mol
LogP3.31
Rot. Bonds2

About 2-chloro-5-nitro-3-phenylpyridine

2-chloro-5-nitro-3-phenylpyridine (PubChem CID 46314698) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-chloro-5-nitro-3-phenylpyridine.

Molecular Properties

Compound Name2-chloro-5-nitro-3-phenylpyridine
PubChem CID46314698
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name2-chloro-5-nitro-3-phenylpyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C11H7ClN2O2/c12-11-10(8-4-2-1-3-5-8)6-9(7-13-11)14(15)16/h1-7H
InChIKeyNBOFTXBTCLHAJL-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': '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 2-chloro-5-nitro-3-phenylpyridine?
The IUPAC name of 2-chloro-5-nitro-3-phenylpyridine (CID 46314698) is 2-chloro-5-nitro-3-phenylpyridine.
What is the SMILES notation for 2-chloro-5-nitro-3-phenylpyridine?
The canonical SMILES for 2-chloro-5-nitro-3-phenylpyridine is O=[N+]([O-])c1cnc(Cl)c(-c2ccccc2)c1.
What is the InChIKey of 2-chloro-5-nitro-3-phenylpyridine?
The InChIKey is NBOFTXBTCLHAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-11-10(8-4-2-1-3-5-8)6-9(7-13-11)14(15)16/h1-7H.
What are the key properties of 2-chloro-5-nitro-3-phenylpyridine?
2-chloro-5-nitro-3-phenylpyridine 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-chloro-5-nitro-3-phenylpyridine is sourced from PubChem (CID 46314698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).