6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine

C11H15ClN2O2 — CID 106196975

IUPAC6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
SMILESCC1(C)OCC(CNc2cccc(Cl)n2)O1
InChIInChI=1S/C11H15ClN2O2/c1-11(2)15-7-8(16-11)6-13-10-5-3-4-9(12)14-10/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyJAUAOLIFVOMNJD-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.30
Rot. Bonds3

About 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine

6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine (PubChem CID 106196975) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
PubChem CID106196975
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
SMILESCC1(C)OCC(CNc2cccc(Cl)n2)O1
InChIInChI=1S/C11H15ClN2O2/c1-11(2)15-7-8(16-11)6-13-10-5-3-4-9(12)14-10/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyJAUAOLIFVOMNJD-UHFFFAOYSA-N
XLogP2.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine (CID 106196975) is 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine is CC1(C)OCC(CNc2cccc(Cl)n2)O1.
What is the InChIKey of 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine?
The InChIKey is JAUAOLIFVOMNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2)15-7-8(16-11)6-13-10-5-3-4-9(12)14-10/h3-5,8H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine?
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 106196975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).