N-[(6-chloro-2-pyridinyl)methyl]ethanamine

C8H11ClN2 — CID 119090911

IUPACN-[(6-chloro-2-pyridinyl)methyl]ethanamine
SMILESCCNCc1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2/c1-2-10-6-7-4-3-5-8(9)11-7/h3-5,10H,2,6H2,1H3
InChIKeyPLVZRCXHZCPAMK-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.84
Rot. Bonds3

About N-[(6-chloro-2-pyridinyl)methyl]ethanamine

N-[(6-chloro-2-pyridinyl)methyl]ethanamine (PubChem CID 119090911) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is N-[(6-chloro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-2-pyridinyl)methyl]ethanamine
PubChem CID119090911
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC NameN-[(6-chloro-2-pyridinyl)methyl]ethanamine
SMILESCCNCc1cccc(Cl)n1
InChIInChI=1S/C8H11ClN2/c1-2-10-6-7-4-3-5-8(9)11-7/h3-5,10H,2,6H2,1H3
InChIKeyPLVZRCXHZCPAMK-UHFFFAOYSA-N
XLogP1.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.84
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-[(6-chloro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]ethanamine (CID 119090911) is N-[(6-chloro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(6-chloro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(6-chloro-2-pyridinyl)methyl]ethanamine is CCNCc1cccc(Cl)n1.
What is the InChIKey of N-[(6-chloro-2-pyridinyl)methyl]ethanamine?
The InChIKey is PLVZRCXHZCPAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-2-10-6-7-4-3-5-8(9)11-7/h3-5,10H,2,6H2,1H3.
What are the key properties of N-[(6-chloro-2-pyridinyl)methyl]ethanamine?
N-[(6-chloro-2-pyridinyl)methyl]ethanamine has a molecular weight of 170.64 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 119090911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).