5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline

C10H11BrN2O2 — CID 65341327

IUPAC5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
SMILESCC1CC1Nc1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrN2O2/c1-6-4-8(6)12-9-5-7(11)2-3-10(9)13(14)15/h2-3,5-6,8,12H,4H2,1H3
InChIKeyZRELWLOUCFRMQR-UHFFFAOYSA-N
MW271.11 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline

5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline (PubChem CID 65341327) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline.

Molecular Properties

Compound Name5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
PubChem CID65341327
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
SMILESCC1CC1Nc1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrN2O2/c1-6-4-8(6)12-9-5-7(11)2-3-10(9)13(14)15/h2-3,5-6,8,12H,4H2,1H3
InChIKeyZRELWLOUCFRMQR-UHFFFAOYSA-N
XLogP3.18
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-bromo-N-(2-methylcyclohexyl)-2-nitroaniline
CID 65341912
5-bromo-N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 65341865
5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline
CID 115715250
N-(5-bromo-2-nitrophenyl)thian-4-amine
CID 113260841
N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide
CID 82989306
4-bromo-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-nitroaniline
CID 29030722
4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid
CID 114907267
4-bromo-1-[(1S,2R)-2-methylcyclopropyl]-2-nitrobenzene
CID 28592942
5-bromo-N-(cyclopropylmethyl)-2-nitroaniline
CID 65341443
3-methyl-N-(2-methylcyclopropyl)-8-nitroisoquinolin-5-amine
CID 102714307
N-(4-bromo-2-nitrophenyl)-2-methylthian-3-amine
CID 79957032
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline?
The IUPAC name of 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline (CID 65341327) is 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline.
What is the SMILES notation for 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline?
The canonical SMILES for 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline is CC1CC1Nc1cc(Br)ccc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline?
The InChIKey is ZRELWLOUCFRMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-6-4-8(6)12-9-5-7(11)2-3-10(9)13(14)15/h2-3,5-6,8,12H,4H2,1H3.
What are the key properties of 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline?
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline has a molecular weight of 271.11 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline is sourced from PubChem (CID 65341327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).