4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene

C10H9Br2NO3 — CID 169224101

IUPAC4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene
SMILESCOc1ccc(C2CC2(Br)Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9Br2NO3/c1-16-9-3-2-6(4-8(9)13(14)15)7-5-10(7,11)12/h2-4,7H,5H2,1H3
InChIKeyCVYHROAICVNPNR-UHFFFAOYSA-N
MW350.99 g/mol
LogP3.58
Rot. Bonds3

About 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene

4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene (PubChem CID 169224101) has the molecular formula C10H9Br2NO3 and a molecular weight of 350.99 g/mol. Its IUPAC name is 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene
PubChem CID169224101
Molecular FormulaC10H9Br2NO3
Molecular Weight350.99 g/mol
Exact Mass348.89
IUPAC Name4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene
SMILESCOc1ccc(C2CC2(Br)Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9Br2NO3/c1-16-9-3-2-6(4-8(9)13(14)15)7-5-10(7,11)12/h2-4,7H,5H2,1H3
InChIKeyCVYHROAICVNPNR-UHFFFAOYSA-N
XLogP3.58
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.99
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

3-(4-methoxy-3-nitrophenyl)azetidine;hydrochloride
CID 131879443
4-(4-methoxy-3-nitrophenyl)oxane-2,6-dione
CID 121001788
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
CID 171252695
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1204071
(2S)-2-(4-methoxy-3-nitrophenyl)piperazine;hydrochloride
CID 171193664
5-acetyl-4-(4-methoxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 50888139
4-isocyano-1-methoxy-2-nitrobenzene
CID 55275345
5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene
CID 10150215
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene?
The IUPAC name of 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene (CID 169224101) is 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene.
What is the SMILES notation for 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene?
The canonical SMILES for 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene is COc1ccc(C2CC2(Br)Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene?
The InChIKey is CVYHROAICVNPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO3/c1-16-9-3-2-6(4-8(9)13(14)15)7-5-10(7,11)12/h2-4,7H,5H2,1H3.
What are the key properties of 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene?
4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene has a molecular weight of 350.99 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene is sourced from PubChem (CID 169224101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).