3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine

C10H9BrN4O2 — CID 79523372

IUPAC3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
SMILESCc1cc(C)n(-c2ncc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C10H9BrN4O2/c1-6-3-7(2)14(13-6)10-9(11)4-8(5-12-10)15(16)17/h3-5H,1-2H3
InChIKeyNYHYEHWTPYYIFW-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.55
Rot. Bonds2

About 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine

3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine (PubChem CID 79523372) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine.

Molecular Properties

Compound Name3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
PubChem CID79523372
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
SMILESCc1cc(C)n(-c2ncc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C10H9BrN4O2/c1-6-3-7(2)14(13-6)10-9(11)4-8(5-12-10)15(16)17/h3-5H,1-2H3
InChIKeyNYHYEHWTPYYIFW-UHFFFAOYSA-N
XLogP2.55
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.55
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-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile
CID 63810217
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine
CID 62475881
2,3-bis(3,5-dimethylpyrazol-1-yl)-6-nitroquinoxaline
CID 1249564
1-(3-bromo-5-nitro-2-pyridinyl)-3-methylpyrazole-4-carboxylic acid
CID 79523815
1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 79535406
(3S,5R)-1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 126816100
3-bromo-5-nitro-2-(triazol-1-yl)pyridine
CID 133054234
(1R,2S,3R)-4-(3-bromo-5-nitro-2-pyridinyl)-2,3-dimethyl-1,4-thiazinane 1-oxide
CID 99107216
8-(3-bromo-5-nitro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79699313
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
CID 79523536
3-bromo-5-nitropyridine-2-sulfonamide
CID 79524071

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine?
The IUPAC name of 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine (CID 79523372) is 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine.
What is the SMILES notation for 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine?
The canonical SMILES for 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine is Cc1cc(C)n(-c2ncc([N+](=O)[O-])cc2Br)n1.
What is the InChIKey of 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine?
The InChIKey is NYHYEHWTPYYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c1-6-3-7(2)14(13-6)10-9(11)4-8(5-12-10)15(16)17/h3-5H,1-2H3.
What are the key properties of 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine?
3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine has a molecular weight of 297.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine is sourced from PubChem (CID 79523372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).