4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine

C9H8N4O3 — CID 141478928

IUPAC4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine
SMILESCOc1ccnc(-c2cn[nH]c2[N+](=O)[O-])c1
InChIInChI=1S/C9H8N4O3/c1-16-6-2-3-10-8(4-6)7-5-11-12-9(7)13(14)15/h2-5H,1H3,(H,11,12)
InChIKeyNXUPDWAFXKGJJS-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.39
Rot. Bonds3

About 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine

4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine (PubChem CID 141478928) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine
PubChem CID141478928
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine
SMILESCOc1ccnc(-c2cn[nH]c2[N+](=O)[O-])c1
InChIInChI=1S/C9H8N4O3/c1-16-6-2-3-10-8(4-6)7-5-11-12-9(7)13(14)15/h2-5H,1H3,(H,11,12)
InChIKeyNXUPDWAFXKGJJS-UHFFFAOYSA-N
XLogP1.39
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate
CID 144691282
2-(4-methoxy-2-pyridinyl)-4-nitrophenol
CID 135847666
N-[(4-methoxyphenyl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 114989818
4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde
CID 18667545
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
2-(2,5-dichlorophenyl)-4-methoxypyridine
CID 118819379
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
CID 136954896
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
4-(4-methoxy-2-pyridinyl)-1,2-oxazole
CID 130708444
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 160610381
5-[(4-methoxyphenyl)methyl]-4-nitro-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-pyrazole
CID 69379256

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine (CID 141478928) is 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine is COc1ccnc(-c2cn[nH]c2[N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine?
The InChIKey is NXUPDWAFXKGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-16-6-2-3-10-8(4-6)7-5-11-12-9(7)13(14)15/h2-5H,1H3,(H,11,12).
What are the key properties of 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine?
4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine has a molecular weight of 220.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 141478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).