6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine

C9H7ClN4O3 — CID 81341844

IUPAC6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine
SMILESCc1cc(Oc2nc(Cl)ccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C9H7ClN4O3/c1-5-4-8(13-12-5)17-9-6(14(15)16)2-3-7(10)11-9/h2-4H,1H3,(H,12,13)
InChIKeyXIMUHSLLAQYHOY-UHFFFAOYSA-N
MW254.63 g/mol
LogP2.47
Rot. Bonds3

About 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine

6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine (PubChem CID 81341844) has the molecular formula C9H7ClN4O3 and a molecular weight of 254.63 g/mol. Its IUPAC name is 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine
PubChem CID81341844
Molecular FormulaC9H7ClN4O3
Molecular Weight254.63 g/mol
Exact Mass254.02
IUPAC Name6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine
SMILESCc1cc(Oc2nc(Cl)ccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C9H7ClN4O3/c1-5-4-8(13-12-5)17-9-6(14(15)16)2-3-7(10)11-9/h2-4H,1H3,(H,12,13)
InChIKeyXIMUHSLLAQYHOY-UHFFFAOYSA-N
XLogP2.47
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
3-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-nitrobenzoic acid
CID 82780459
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine?
The IUPAC name of 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine (CID 81341844) is 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine?
The canonical SMILES for 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine is Cc1cc(Oc2nc(Cl)ccc2[N+](=O)[O-])n[nH]1.
What is the InChIKey of 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine?
The InChIKey is XIMUHSLLAQYHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O3/c1-5-4-8(13-12-5)17-9-6(14(15)16)2-3-7(10)11-9/h2-4H,1H3,(H,12,13).
What are the key properties of 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine?
6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine has a molecular weight of 254.63 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine is sourced from PubChem (CID 81341844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).