2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine

C11H11BrN4O2 — CID 62475881

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine
SMILESCc1cc([N+](=O)[O-])cnc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C11H11BrN4O2/c1-6-4-9(16(17)18)5-13-11(6)15-8(3)10(12)7(2)14-15/h4-5H,1-3H3
InChIKeyXNDPYJGRTUMBAP-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.86
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine (PubChem CID 62475881) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine
PubChem CID62475881
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine
SMILESCc1cc([N+](=O)[O-])cnc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C11H11BrN4O2/c1-6-4-9(16(17)18)5-13-11(6)15-8(3)10(12)7(2)14-15/h4-5H,1-3H3
InChIKeyXNDPYJGRTUMBAP-UHFFFAOYSA-N
XLogP2.86
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.86
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-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-nitroaniline
CID 55080397
4-bromo-1-(2-iodo-4-nitrophenyl)-3,5-dimethylpyrazole
CID 66093297
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-nitro-1,3-thiazole
CID 102771553
3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
CID 79523372
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-5-nitroaniline
CID 80857201
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole
CID 65343683
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-5-nitrobenzoic acid
CID 107186596
(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-chloro-5-nitrophenyl)methanone
CID 603525
4-bromo-1-(4-iodo-2-nitrophenyl)-3,5-dimethylpyrazole
CID 66081126
4-bromo-1-(4,5-dimethoxy-2-nitrophenyl)-3,5-dimethylpyrazole
CID 83004087
1-(3-bromo-5-nitro-2-pyridinyl)-3-methylpyrazole-4-carboxylic acid
CID 79523815

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine (CID 62475881) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine is Cc1cc([N+](=O)[O-])cnc1-n1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine?
The InChIKey is XNDPYJGRTUMBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-6-4-9(16(17)18)5-13-11(6)15-8(3)10(12)7(2)14-15/h4-5H,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine has a molecular weight of 311.14 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine is sourced from PubChem (CID 62475881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).