4-[bromo(nitro)methyl]-2-methylpyridine

C7H7BrN2O2 — CID 119090074

IUPAC4-[bromo(nitro)methyl]-2-methylpyridine
SMILESCc1cc(C(Br)[N+](=O)[O-])ccn1
InChIInChI=1S/C7H7BrN2O2/c1-5-4-6(2-3-9-5)7(8)10(11)12/h2-4,7H,1H3
InChIKeyUUQWAMYNRNPCHI-UHFFFAOYSA-N
MW231.05 g/mol
LogP2.06
Rot. Bonds2

About 4-[bromo(nitro)methyl]-2-methylpyridine

4-[bromo(nitro)methyl]-2-methylpyridine (PubChem CID 119090074) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 4-[bromo(nitro)methyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[bromo(nitro)methyl]-2-methylpyridine
PubChem CID119090074
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name4-[bromo(nitro)methyl]-2-methylpyridine
SMILESCc1cc(C(Br)[N+](=O)[O-])ccn1
InChIInChI=1S/C7H7BrN2O2/c1-5-4-6(2-3-9-5)7(8)10(11)12/h2-4,7H,1H3
InChIKeyUUQWAMYNRNPCHI-UHFFFAOYSA-N
XLogP2.06
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(2-methyl-4-pyridinyl)acetaldehyde
CID 87928859
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
1-(2-methyl-4-pyridinyl)propan-1-amine
CID 55295377
(2-methyl-4-pyridinyl) nitrate
CID 91620911
2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55292030
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
4-[dichloro(nitro)methyl]-2-methylpyridine
CID 119091727
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
CID 170827559
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
(3,5-dimethylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756094
(S)-(2-methyl-4-pyridinyl)-phenylmethanol
CID 122230271

Frequently Asked Questions

What is the IUPAC name of 4-[bromo(nitro)methyl]-2-methylpyridine?
The IUPAC name of 4-[bromo(nitro)methyl]-2-methylpyridine (CID 119090074) is 4-[bromo(nitro)methyl]-2-methylpyridine.
What is the SMILES notation for 4-[bromo(nitro)methyl]-2-methylpyridine?
The canonical SMILES for 4-[bromo(nitro)methyl]-2-methylpyridine is Cc1cc(C(Br)[N+](=O)[O-])ccn1.
What is the InChIKey of 4-[bromo(nitro)methyl]-2-methylpyridine?
The InChIKey is UUQWAMYNRNPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-5-4-6(2-3-9-5)7(8)10(11)12/h2-4,7H,1H3.
What are the key properties of 4-[bromo(nitro)methyl]-2-methylpyridine?
4-[bromo(nitro)methyl]-2-methylpyridine has a molecular weight of 231.05 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo(nitro)methyl]-2-methylpyridine is sourced from PubChem (CID 119090074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).