N-benzyl-6-chloropyridin-2-amine

C12H11ClN2 — CID 2405403

IUPACN-benzyl-6-chloropyridin-2-amine
SMILESClc1cccc(NCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2/c13-11-7-4-8-12(15-11)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChIKeyNIKWMBWOVZIHDI-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.35
Rot. Bonds3

About N-benzyl-6-chloropyridin-2-amine

N-benzyl-6-chloropyridin-2-amine (PubChem CID 2405403) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is N-benzyl-6-chloropyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-chloropyridin-2-amine
PubChem CID2405403
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC NameN-benzyl-6-chloropyridin-2-amine
SMILESClc1cccc(NCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2/c13-11-7-4-8-12(15-11)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChIKeyNIKWMBWOVZIHDI-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.35
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-benzyl-6-chloropyridin-2-amine?
The IUPAC name of N-benzyl-6-chloropyridin-2-amine (CID 2405403) is N-benzyl-6-chloropyridin-2-amine.
What is the SMILES notation for N-benzyl-6-chloropyridin-2-amine?
The canonical SMILES for N-benzyl-6-chloropyridin-2-amine is Clc1cccc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-chloropyridin-2-amine?
The InChIKey is NIKWMBWOVZIHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-11-7-4-8-12(15-11)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15).
What are the key properties of N-benzyl-6-chloropyridin-2-amine?
N-benzyl-6-chloropyridin-2-amine has a molecular weight of 218.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloropyridin-2-amine is sourced from PubChem (CID 2405403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).