3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine

C11H14BrN3O2 — CID 103519296

IUPAC3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine
SMILESCC1(Nc2c(Br)cncc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C11H14BrN3O2/c1-11(4-2-3-5-11)14-10-8(12)6-13-7-9(10)15(16)17/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyFOZGXAMXTDYLLN-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine

3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine (PubChem CID 103519296) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine
PubChem CID103519296
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine
SMILESCC1(Nc2c(Br)cncc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C11H14BrN3O2/c1-11(4-2-3-5-11)14-10-8(12)6-13-7-9(10)15(16)17/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyFOZGXAMXTDYLLN-UHFFFAOYSA-N
XLogP3.50
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.50
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-[(1-methylcyclopentyl)methyl]-5-nitropyridin-4-amine
CID 103519376
1-[(3-bromo-5-nitro-4-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 103519000
3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine
CID 103877913
3-bromo-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-4-amine
CID 103519427
5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine
CID 103517981
3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine
CID 103877991
N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 103519566
3-bromo-N-(1,1-dioxothian-4-yl)-5-nitropyridin-4-amine
CID 103519265
3-bromo-N-(3-methylsulfanylpropyl)-5-nitropyridin-4-amine
CID 103878057
3-bromo-N-(2-methylsulfanylcyclopentyl)-5-nitropyridin-4-amine
CID 114121837
4-bromo-N-(1-methylcyclohexyl)-2-nitroaniline
CID 55193171
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitropyridin-4-amine
CID 103877894

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine?
The IUPAC name of 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine (CID 103519296) is 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine?
The canonical SMILES for 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine is CC1(Nc2c(Br)cncc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine?
The InChIKey is FOZGXAMXTDYLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-11(4-2-3-5-11)14-10-8(12)6-13-7-9(10)15(16)17/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine?
3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine has a molecular weight of 300.16 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine is sourced from PubChem (CID 103519296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).