2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine

C11H11ClN4O3 — CID 114070745

IUPAC2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine
SMILESCc1nn(C)c(C)c1Oc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H11ClN4O3/c1-6-11(7(2)15(3)14-6)19-10-5-8(16(17)18)4-9(12)13-10/h4-5H,1-3H3
InChIKeyCCGGOJXHQANGMF-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine

2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine (PubChem CID 114070745) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine.

Molecular Properties

Compound Name2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine
PubChem CID114070745
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine
SMILESCc1nn(C)c(C)c1Oc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H11ClN4O3/c1-6-11(7(2)15(3)14-6)19-10-5-8(16(17)18)4-9(12)13-10/h4-5H,1-3H3
InChIKeyCCGGOJXHQANGMF-UHFFFAOYSA-N
XLogP2.79
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine?
The IUPAC name of 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine (CID 114070745) is 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine.
What is the SMILES notation for 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine?
The canonical SMILES for 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine is Cc1nn(C)c(C)c1Oc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine?
The InChIKey is CCGGOJXHQANGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-6-11(7(2)15(3)14-6)19-10-5-8(16(17)18)4-9(12)13-10/h4-5H,1-3H3.
What are the key properties of 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine?
2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine has a molecular weight of 282.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine is sourced from PubChem (CID 114070745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).