3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine

C12H17BrN4O2 — CID 83026346

IUPAC3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine
SMILESCC1CCCC(C)N1Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H17BrN4O2/c1-8-4-3-5-9(2)16(8)15-12-11(13)6-10(7-14-12)17(18)19/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyUFCPXKDDJBTWQN-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.34
Rot. Bonds3

About 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine

3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine (PubChem CID 83026346) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine
PubChem CID83026346
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine
SMILESCC1CCCC(C)N1Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H17BrN4O2/c1-8-4-3-5-9(2)16(8)15-12-11(13)6-10(7-14-12)17(18)19/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyUFCPXKDDJBTWQN-UHFFFAOYSA-N
XLogP3.34
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylcyclohexyl)-5-nitropyridin-2-amine
CID 79534514
3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
CID 79535138
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
N'-(3-bromo-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 79534716
N-[(2-bromo-4-nitrophenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021877
N-[2-(azepan-1-yl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 79534244
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 114043393
3-bromo-5-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 79534792
5-bromo-3-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridin-2-amine
CID 103582598
3-bromo-5-nitro-N-[(3R)-oxan-3-yl]pyridin-2-amine
CID 96570726
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine (CID 83026346) is 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine is CC1CCCC(C)N1Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine?
The InChIKey is UFCPXKDDJBTWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-8-4-3-5-9(2)16(8)15-12-11(13)6-10(7-14-12)17(18)19/h6-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine?
3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine has a molecular weight of 329.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 83026346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).