3-bromo-N-cyclohexyl-5-nitropyridin-2-amine

C11H14BrN3O2 — CID 79535138

IUPAC3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CCCCC2)c(Br)c1
InChIInChI=1S/C11H14BrN3O2/c12-10-6-9(15(16)17)7-13-11(10)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKeyNCOAVJORAKKSOA-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine

3-bromo-N-cyclohexyl-5-nitropyridin-2-amine (PubChem CID 79535138) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
PubChem CID79535138
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CCCCC2)c(Br)c1
InChIInChI=1S/C11H14BrN3O2/c12-10-6-9(15(16)17)7-13-11(10)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKeyNCOAVJORAKKSOA-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-5-nitro-N-[(3R)-oxan-3-yl]pyridin-2-amine
CID 96570726
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine
CID 79534514
3-bromo-N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 115563804
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 83026346
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
2-bromo-6-chloro-N-cyclohexyl-4-nitroaniline
CID 50879522
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
2-bromo-N-cyclohexyl-6-ethyl-4-nitroaniline
CID 91681157

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine (CID 79535138) is 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine is O=[N+]([O-])c1cnc(NC2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine?
The InChIKey is NCOAVJORAKKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-10-6-9(15(16)17)7-13-11(10)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14).
What are the key properties of 3-bromo-N-cyclohexyl-5-nitropyridin-2-amine?
3-bromo-N-cyclohexyl-5-nitropyridin-2-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-cyclohexyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79535138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).