2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine

C11H15ClN2O — CID 131172392

IUPAC2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
SMILESCC1(C)OCCC1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-11(2)9(4-6-15-11)14-8-3-5-13-10(12)7-8/h3,5,7,9H,4,6H2,1-2H3,(H,13,14)
InChIKeyQMRQCZZBLORLSB-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.71
Rot. Bonds2

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

2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine (PubChem CID 131172392) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
PubChem CID131172392
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
SMILESCC1(C)OCCC1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-11(2)9(4-6-15-11)14-8-3-5-13-10(12)7-8/h3,5,7,9H,4,6H2,1-2H3,(H,13,14)
InChIKeyQMRQCZZBLORLSB-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.71
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-(2,2-dimethyloxolan-3-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine (CID 131172392) is 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine is CC1(C)OCCC1Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine?
The InChIKey is QMRQCZZBLORLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-11(2)9(4-6-15-11)14-8-3-5-13-10(12)7-8/h3,5,7,9H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine?
2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine is sourced from PubChem (CID 131172392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).