5-bromo-2-chloro-N-cyclohexylpyridin-4-amine

C11H14BrClN2 — CID 153365884

IUPAC5-bromo-2-chloro-N-cyclohexylpyridin-4-amine
SMILESClc1cc(NC2CCCCC2)c(Br)cn1
InChIInChI=1S/C11H14BrClN2/c12-9-7-14-11(13)6-10(9)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyKJCPAERMOREQGC-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine

5-bromo-2-chloro-N-cyclohexylpyridin-4-amine (PubChem CID 153365884) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclohexylpyridin-4-amine
PubChem CID153365884
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name5-bromo-2-chloro-N-cyclohexylpyridin-4-amine
SMILESClc1cc(NC2CCCCC2)c(Br)cn1
InChIInChI=1S/C11H14BrClN2/c12-9-7-14-11(13)6-10(9)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyKJCPAERMOREQGC-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine (CID 153365884) is 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine is Clc1cc(NC2CCCCC2)c(Br)cn1.
What is the InChIKey of 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine?
The InChIKey is KJCPAERMOREQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-9-7-14-11(13)6-10(9)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15).
What are the key properties of 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine?
5-bromo-2-chloro-N-cyclohexylpyridin-4-amine has a molecular weight of 289.60 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclohexylpyridin-4-amine is sourced from PubChem (CID 153365884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).