6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine

C11H15ClN2O — CID 75525295

IUPAC6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESClc1ccc(NCC2CCOCC2)cn1
InChIInChI=1S/C11H15ClN2O/c12-11-2-1-10(8-14-11)13-7-9-3-5-15-6-4-9/h1-2,8-9,13H,3-7H2
InChIKeyJLKAWHGMSZBBPW-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.57
Rot. Bonds3

About 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine

6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine (PubChem CID 75525295) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine
PubChem CID75525295
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESClc1ccc(NCC2CCOCC2)cn1
InChIInChI=1S/C11H15ClN2O/c12-11-2-1-10(8-14-11)13-7-9-3-5-15-6-4-9/h1-2,8-9,13H,3-7H2
InChIKeyJLKAWHGMSZBBPW-UHFFFAOYSA-N
XLogP2.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine (CID 75525295) is 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine is Clc1ccc(NCC2CCOCC2)cn1.
What is the InChIKey of 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The InChIKey is JLKAWHGMSZBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-2-1-10(8-14-11)13-7-9-3-5-15-6-4-9/h1-2,8-9,13H,3-7H2.
What are the key properties of 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 75525295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).