3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine

C9H7FN4O2 — CID 67499514

IUPAC3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine
SMILESCc1nn(-c2cncc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7FN4O2/c1-6-9(14(15)16)5-13(12-6)8-2-7(10)3-11-4-8/h2-5H,1H3
InChIKeyOJUBBWRRRBTWOG-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.62
Rot. Bonds2

About 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine

3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine (PubChem CID 67499514) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine
PubChem CID67499514
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine
SMILESCc1nn(-c2cncc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7FN4O2/c1-6-9(14(15)16)5-13(12-6)8-2-7(10)3-11-4-8/h2-5H,1H3
InChIKeyOJUBBWRRRBTWOG-UHFFFAOYSA-N
XLogP1.62
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
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

2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)thio]pyridine
CID 2806086
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 2740944
1-(3-Nitro-4-pyridinyl)benzotriazole
CID 357341
2-Methyl-1,4-dinitropyrrole
CID 100593
3-(1H-pyrazol-1-yl)pyridine
CID 11378567
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-3-pyridinylacetamide
CID 1257381
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 831686
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-pyridinylmethyl)acetamide
CID 1258199
4-(4-nitro-1H-pyrazol-1-yl)-N-(pyridin-3-yl)butanamide
CID 1503097
2-(4-nitro-1H-pyrazol-1-yl)-N-(pyridin-3-yl)acetamide
CID 4916147
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(pyridin-3-yl)butanamide
CID 5294850
4-nitro-1-phenyl-1H-pyrazole
CID 2755894

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine?
The IUPAC name of 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine (CID 67499514) is 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine is Cc1nn(-c2cncc(F)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine?
The InChIKey is OJUBBWRRRBTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c1-6-9(14(15)16)5-13(12-6)8-2-7(10)3-11-4-8/h2-5H,1H3.
What are the key properties of 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine?
3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine has a molecular weight of 222.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-methyl-4-nitropyrazol-1-yl)pyridine is sourced from PubChem (CID 67499514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).