2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine

C11H15ClN2O — CID 130906124

IUPAC2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
SMILESCCC1(Nc2ccnc(Cl)c2)CCOC1
InChIInChI=1S/C11H15ClN2O/c1-2-11(4-6-15-8-11)14-9-3-5-13-10(12)7-9/h3,5,7H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyQKYVKJHRMWKTNJ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.72
Rot. Bonds3

About 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine

2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine (PubChem CID 130906124) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
PubChem CID130906124
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
SMILESCCC1(Nc2ccnc(Cl)c2)CCOC1
InChIInChI=1S/C11H15ClN2O/c1-2-11(4-6-15-8-11)14-9-3-5-13-10(12)7-9/h3,5,7H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyQKYVKJHRMWKTNJ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine (CID 130906124) is 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine is CCC1(Nc2ccnc(Cl)c2)CCOC1.
What is the InChIKey of 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
The InChIKey is QKYVKJHRMWKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-11(4-6-15-8-11)14-9-3-5-13-10(12)7-9/h3,5,7H,2,4,6,8H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine is sourced from PubChem (CID 130906124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).