3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine

C12H16BrN3O2 — CID 79534514

IUPAC3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine
SMILESCC1CCCCC1Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H16BrN3O2/c1-8-4-2-3-5-11(8)15-12-10(13)6-9(7-14-12)16(17)18/h6-8,11H,2-5H2,1H3,(H,14,15)
InChIKeyQBHFHWPSCDQRED-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.74
Rot. Bonds3

About 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine

3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine (PubChem CID 79534514) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine
PubChem CID79534514
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine
SMILESCC1CCCCC1Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H16BrN3O2/c1-8-4-2-3-5-11(8)15-12-10(13)6-9(7-14-12)16(17)18/h6-8,11H,2-5H2,1H3,(H,14,15)
InChIKeyQBHFHWPSCDQRED-UHFFFAOYSA-N
XLogP3.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.74
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-cyclohexyl-5-nitropyridin-2-amine
CID 79535138
3-bromo-4-methyl-N-(2-methylcycloheptyl)-5-nitropyridin-2-amine
CID 104508055
3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 83026346
3-bromo-5-nitro-N-[(3R)-oxan-3-yl]pyridin-2-amine
CID 96570726
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
3-bromo-N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 115563804
5-bromo-4-fluoro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 116736905
6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471641
N-(2-methylcyclohexyl)-4-nitroaniline
CID 43079076
5-bromo-N-(2-methylcyclohexyl)-2-nitroaniline
CID 65341912

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine (CID 79534514) is 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine is CC1CCCCC1Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine?
The InChIKey is QBHFHWPSCDQRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-8-4-2-3-5-11(8)15-12-10(13)6-9(7-14-12)16(17)18/h6-8,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine?
3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine has a molecular weight of 314.18 g/mol, XLogP of 3.74, 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-methylcyclohexyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 79534514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).