N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine

C12H16BrFN2 — CID 102637629

IUPACN-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCN(c1ncccc1F)C1CCCCC1Br
InChIInChI=1S/C12H16BrFN2/c1-16(11-7-3-2-5-9(11)13)12-10(14)6-4-8-15-12/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyXUEIPNMELCFIFH-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.36
Rot. Bonds2

About N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine

N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine (PubChem CID 102637629) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine
PubChem CID102637629
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC NameN-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCN(c1ncccc1F)C1CCCCC1Br
InChIInChI=1S/C12H16BrFN2/c1-16(11-7-3-2-5-9(11)13)12-10(14)6-4-8-15-12/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyXUEIPNMELCFIFH-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-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-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine (CID 102637629) is N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine is CN(c1ncccc1F)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is XUEIPNMELCFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-16(11-7-3-2-5-9(11)13)12-10(14)6-4-8-15-12/h4,6,8-9,11H,2-3,5,7H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 287.18 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 102637629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).