2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane

C11H17ClN2O — CID 153404830

IUPAC2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane
SMILESCC.Cc1cnc(Cl)cc1NC1COC1
InChIInChI=1S/C9H11ClN2O.C2H6/c1-6-3-11-9(10)2-8(6)12-7-4-13-5-7;1-2/h2-3,7H,4-5H2,1H3,(H,11,12);1-2H3
InChIKeyXJYYBJHLTCIXJH-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane

2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane (PubChem CID 153404830) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane
PubChem CID153404830
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane
SMILESCC.Cc1cnc(Cl)cc1NC1COC1
InChIInChI=1S/C9H11ClN2O.C2H6/c1-6-3-11-9(10)2-8(6)12-7-4-13-5-7;1-2/h2-3,7H,4-5H2,1H3,(H,11,12);1-2H3
InChIKeyXJYYBJHLTCIXJH-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.88
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-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane?
The IUPAC name of 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane (CID 153404830) is 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane.
What is the SMILES notation for 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane?
The canonical SMILES for 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane is CC.Cc1cnc(Cl)cc1NC1COC1.
What is the InChIKey of 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane?
The InChIKey is XJYYBJHLTCIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.C2H6/c1-6-3-11-9(10)2-8(6)12-7-4-13-5-7;1-2/h2-3,7H,4-5H2,1H3,(H,11,12);1-2H3.
What are the key properties of 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane?
2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane has a molecular weight of 228.72 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane is sourced from PubChem (CID 153404830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).