N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine

C11H13BrN2 — CID 130608087

IUPACN-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine
SMILESBrc1ccnc(NC2CCC3CC32)c1
InChIInChI=1S/C11H13BrN2/c12-8-3-4-13-11(6-8)14-10-2-1-7-5-9(7)10/h3-4,6-7,9-10H,1-2,5H2,(H,13,14)
InChIKeyBFBYRYZTTVCRGT-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.05
Rot. Bonds2

About N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine

N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine (PubChem CID 130608087) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine
PubChem CID130608087
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC NameN-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine
SMILESBrc1ccnc(NC2CCC3CC32)c1
InChIInChI=1S/C11H13BrN2/c12-8-3-4-13-11(6-8)14-10-2-1-7-5-9(7)10/h3-4,6-7,9-10H,1-2,5H2,(H,13,14)
InChIKeyBFBYRYZTTVCRGT-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine?
The IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine (CID 130608087) is N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine is Brc1ccnc(NC2CCC3CC32)c1.
What is the InChIKey of N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine?
The InChIKey is BFBYRYZTTVCRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c12-8-3-4-13-11(6-8)14-10-2-1-7-5-9(7)10/h3-4,6-7,9-10H,1-2,5H2,(H,13,14).
What are the key properties of N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine?
N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine has a molecular weight of 253.14 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine is sourced from PubChem (CID 130608087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).