3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine

C9H7ClN4O3 — CID 134589069

IUPAC3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine
SMILESCOc1ncc(-n2ccc([N+](=O)[O-])n2)cc1Cl
InChIInChI=1S/C9H7ClN4O3/c1-17-9-7(10)4-6(5-11-9)13-3-2-8(12-13)14(15)16/h2-5H,1H3
InChIKeySGEXEHMTDYIBCW-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.84
Rot. Bonds3

About 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine

3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine (PubChem CID 134589069) has the molecular formula C9H7ClN4O3 and a molecular weight of 254.63 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine
PubChem CID134589069
Molecular FormulaC9H7ClN4O3
Molecular Weight254.63 g/mol
Exact Mass254.02
IUPAC Name3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine
SMILESCOc1ncc(-n2ccc([N+](=O)[O-])n2)cc1Cl
InChIInChI=1S/C9H7ClN4O3/c1-17-9-7(10)4-6(5-11-9)13-3-2-8(12-13)14(15)16/h2-5H,1H3
InChIKeySGEXEHMTDYIBCW-UHFFFAOYSA-N
XLogP1.84
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-1-phenylpyrazole
CID 12581098
5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
CID 115491066
3-nitro-1-[3-(trifluoromethoxy)phenyl]pyrazole
CID 125489936
3-(2,6-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087502
4-chloro-5-methoxy-2-nitropyridine
CID 118850680
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-3-nitropyrazole
CID 49429539
4-methyl-2-(3-nitropyrazol-1-yl)benzoic acid
CID 55107664
5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
CID 133087485
3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane
CID 157313152
N-[[1-(3-chloro-4-nitrophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 82866046
1-(3-chloro-4-nitrophenyl)pyrazole-3-carboxylic acid
CID 82864853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine?
The IUPAC name of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine (CID 134589069) is 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine is COc1ncc(-n2ccc([N+](=O)[O-])n2)cc1Cl.
What is the InChIKey of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine?
The InChIKey is SGEXEHMTDYIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O3/c1-17-9-7(10)4-6(5-11-9)13-3-2-8(12-13)14(15)16/h2-5H,1H3.
What are the key properties of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine?
3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine has a molecular weight of 254.63 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine is sourced from PubChem (CID 134589069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).