6-chloro-3-nitro-2-(4-propylphenyl)pyridine

C14H13ClN2O2 — CID 79078917

IUPAC6-chloro-3-nitro-2-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13ClN2O2/c1-2-3-10-4-6-11(7-5-10)14-12(17(18)19)8-9-13(15)16-14/h4-9H,2-3H2,1H3
InChIKeyGBEJBRQPPKEBAI-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.26
Rot. Bonds4

About 6-chloro-3-nitro-2-(4-propylphenyl)pyridine

6-chloro-3-nitro-2-(4-propylphenyl)pyridine (PubChem CID 79078917) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-(4-propylphenyl)pyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-(4-propylphenyl)pyridine
PubChem CID79078917
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-chloro-3-nitro-2-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13ClN2O2/c1-2-3-10-4-6-11(7-5-10)14-12(17(18)19)8-9-13(15)16-14/h4-9H,2-3H2,1H3
InChIKeyGBEJBRQPPKEBAI-UHFFFAOYSA-N
XLogP4.26
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.26
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 6-chloro-3-nitro-2-(4-propylphenyl)pyridine?
The IUPAC name of 6-chloro-3-nitro-2-(4-propylphenyl)pyridine (CID 79078917) is 6-chloro-3-nitro-2-(4-propylphenyl)pyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-(4-propylphenyl)pyridine?
The canonical SMILES for 6-chloro-3-nitro-2-(4-propylphenyl)pyridine is CCCc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-chloro-3-nitro-2-(4-propylphenyl)pyridine?
The InChIKey is GBEJBRQPPKEBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-3-10-4-6-11(7-5-10)14-12(17(18)19)8-9-13(15)16-14/h4-9H,2-3H2,1H3.
What are the key properties of 6-chloro-3-nitro-2-(4-propylphenyl)pyridine?
6-chloro-3-nitro-2-(4-propylphenyl)pyridine has a molecular weight of 276.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-(4-propylphenyl)pyridine is sourced from PubChem (CID 79078917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).