3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine

C9H10BrN3O2 — CID 103877991

IUPAC3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine
SMILESCC1CC1Nc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O2/c1-5-2-7(5)12-9-6(10)3-11-4-8(9)13(14)15/h3-5,7H,2H2,1H3,(H,11,12)
InChIKeyUJCWHTLZHIPWPM-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.57
Rot. Bonds3

About 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine

3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine (PubChem CID 103877991) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine
PubChem CID103877991
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine
SMILESCC1CC1Nc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O2/c1-5-2-7(5)12-9-6(10)3-11-4-8(9)13(14)15/h3-5,7H,2H2,1H3,(H,11,12)
InChIKeyUJCWHTLZHIPWPM-UHFFFAOYSA-N
XLogP2.57
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-bromo-N-(2,4-dimethylcyclohexyl)-5-nitropyridin-4-amine
CID 103519381
3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine
CID 103519332
3-bromo-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-4-amine
CID 103519427
3-bromo-5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridin-4-amine
CID 103878152
3-bromo-N-(2-methylsulfanylcyclopentyl)-5-nitropyridin-4-amine
CID 114121837
3-bromo-5-nitro-N-(thian-4-yl)pyridin-4-amine
CID 113343669
3-bromo-N-(1,1-dioxothian-4-yl)-5-nitropyridin-4-amine
CID 103519265
3-bromo-N-[(4-methylcyclohexyl)methyl]-5-nitropyridin-4-amine
CID 103519370
3-bromo-N-(2-cyclopropyloxan-4-yl)-5-nitropyridin-4-amine
CID 133473697
4-[(3-bromo-5-nitro-4-pyridinyl)amino]cyclohexane-1-carboxamide
CID 103519286
3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine
CID 103519296
tert-butyl 4-[(3-bromo-5-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 68897720

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine?
The IUPAC name of 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine (CID 103877991) is 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine is CC1CC1Nc1c(Br)cncc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine?
The InChIKey is UJCWHTLZHIPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-5-2-7(5)12-9-6(10)3-11-4-8(9)13(14)15/h3-5,7H,2H2,1H3,(H,11,12).
What are the key properties of 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine?
3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine has a molecular weight of 272.10 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine is sourced from PubChem (CID 103877991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).