N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine

C12H13Cl3N2 — CID 102751237

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
SMILESClc1cc(Cl)c(NC2CC3CCC2C3)nc1Cl
InChIInChI=1S/C12H13Cl3N2/c13-8-5-9(14)12(17-11(8)15)16-10-4-6-1-2-7(10)3-6/h5-7,10H,1-4H2,(H,16,17)
InChIKeyOHPUYVNNJCGIOC-UHFFFAOYSA-N
MW291.61 g/mol
LogP4.64
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine (PubChem CID 102751237) has the molecular formula C12H13Cl3N2 and a molecular weight of 291.61 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
PubChem CID102751237
Molecular FormulaC12H13Cl3N2
Molecular Weight291.61 g/mol
Exact Mass290.01
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
SMILESClc1cc(Cl)c(NC2CC3CCC2C3)nc1Cl
InChIInChI=1S/C12H13Cl3N2/c13-8-5-9(14)12(17-11(8)15)16-10-4-6-1-2-7(10)3-6/h5-7,10H,1-4H2,(H,16,17)
InChIKeyOHPUYVNNJCGIOC-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.61
LogP ≤ 54.64
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 N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine (CID 102751237) is N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine is Clc1cc(Cl)c(NC2CC3CCC2C3)nc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine?
The InChIKey is OHPUYVNNJCGIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2/c13-8-5-9(14)12(17-11(8)15)16-10-4-6-1-2-7(10)3-6/h5-7,10H,1-4H2,(H,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine has a molecular weight of 291.61 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine is sourced from PubChem (CID 102751237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).