5-benzyl-2-chloropyridin-3-amine

C12H11ClN2 — CID 115031060

IUPAC5-benzyl-2-chloropyridin-3-amine
SMILESNc1cc(Cc2ccccc2)cnc1Cl
InChIInChI=1S/C12H11ClN2/c13-12-11(14)7-10(8-15-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6,14H2
InChIKeyBCSPCSKDVICRKT-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.91
Rot. Bonds2

About 5-benzyl-2-chloropyridin-3-amine

5-benzyl-2-chloropyridin-3-amine (PubChem CID 115031060) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 5-benzyl-2-chloropyridin-3-amine.

Molecular Properties

Compound Name5-benzyl-2-chloropyridin-3-amine
PubChem CID115031060
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name5-benzyl-2-chloropyridin-3-amine
SMILESNc1cc(Cc2ccccc2)cnc1Cl
InChIInChI=1S/C12H11ClN2/c13-12-11(14)7-10(8-15-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6,14H2
InChIKeyBCSPCSKDVICRKT-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.91
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-benzyl-2-chloropyridin-3-amine?
The IUPAC name of 5-benzyl-2-chloropyridin-3-amine (CID 115031060) is 5-benzyl-2-chloropyridin-3-amine.
What is the SMILES notation for 5-benzyl-2-chloropyridin-3-amine?
The canonical SMILES for 5-benzyl-2-chloropyridin-3-amine is Nc1cc(Cc2ccccc2)cnc1Cl.
What is the InChIKey of 5-benzyl-2-chloropyridin-3-amine?
The InChIKey is BCSPCSKDVICRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-12-11(14)7-10(8-15-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6,14H2.
What are the key properties of 5-benzyl-2-chloropyridin-3-amine?
5-benzyl-2-chloropyridin-3-amine has a molecular weight of 218.69 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-chloropyridin-3-amine is sourced from PubChem (CID 115031060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).