6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine

C10H13ClN2O — CID 53410286

IUPAC6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESClc1cccc(NCC2CCCO2)n1
InChIInChI=1S/C10H13ClN2O/c11-9-4-1-5-10(13-9)12-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)
InChIKeyKYIJOIUDNHQPIL-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.33
Rot. Bonds3

About 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine

6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 53410286) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID53410286
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESClc1cccc(NCC2CCCO2)n1
InChIInChI=1S/C10H13ClN2O/c11-9-4-1-5-10(13-9)12-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)
InChIKeyKYIJOIUDNHQPIL-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.33
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-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 53410286) is 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine is Clc1cccc(NCC2CCCO2)n1.
What is the InChIKey of 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is KYIJOIUDNHQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-4-1-5-10(13-9)12-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7H2,(H,12,13).
What are the key properties of 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 212.68 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 53410286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).