6-chloro-3-nitro-2-propylpyridine

C8H9ClN2O2 — CID 20822926

IUPAC6-chloro-3-nitro-2-propylpyridine
SMILESCCCc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O2/c1-2-3-6-7(11(12)13)4-5-8(9)10-6/h4-5H,2-3H2,1H3
InChIKeyJXWGXZRURLODRP-UHFFFAOYSA-N
MW200.63 g/mol
LogP2.60
Rot. Bonds3

About 6-chloro-3-nitro-2-propylpyridine

6-chloro-3-nitro-2-propylpyridine (PubChem CID 20822926) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-propylpyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-propylpyridine
PubChem CID20822926
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name6-chloro-3-nitro-2-propylpyridine
SMILESCCCc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O2/c1-2-3-6-7(11(12)13)4-5-8(9)10-6/h4-5H,2-3H2,1H3
InChIKeyJXWGXZRURLODRP-UHFFFAOYSA-N
XLogP2.60
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 52.60
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-propylpyridine?
The IUPAC name of 6-chloro-3-nitro-2-propylpyridine (CID 20822926) is 6-chloro-3-nitro-2-propylpyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-propylpyridine?
The canonical SMILES for 6-chloro-3-nitro-2-propylpyridine is CCCc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-2-propylpyridine?
The InChIKey is JXWGXZRURLODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-3-6-7(11(12)13)4-5-8(9)10-6/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-3-nitro-2-propylpyridine?
6-chloro-3-nitro-2-propylpyridine has a molecular weight of 200.63 g/mol, XLogP of 2.60, 3 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-propylpyridine is sourced from PubChem (CID 20822926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).