5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine

C9H13ClN2O2 — CID 118192914

IUPAC5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine
SMILESCOC(OC)c1c(Cl)cnc(C)c1N
InChIInChI=1S/C9H13ClN2O2/c1-5-8(11)7(6(10)4-12-5)9(13-2)14-3/h4,9H,11H2,1-3H3
InChIKeyIGQWMHCXRPTKBK-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine

5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine (PubChem CID 118192914) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine
PubChem CID118192914
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine
SMILESCOC(OC)c1c(Cl)cnc(C)c1N
InChIInChI=1S/C9H13ClN2O2/c1-5-8(11)7(6(10)4-12-5)9(13-2)14-3/h4,9H,11H2,1-3H3
InChIKeyIGQWMHCXRPTKBK-UHFFFAOYSA-N
XLogP1.92
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine?
The IUPAC name of 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine (CID 118192914) is 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine.
What is the SMILES notation for 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine?
The canonical SMILES for 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine is COC(OC)c1c(Cl)cnc(C)c1N.
What is the InChIKey of 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine?
The InChIKey is IGQWMHCXRPTKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5-8(11)7(6(10)4-12-5)9(13-2)14-3/h4,9H,11H2,1-3H3.
What are the key properties of 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine?
5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine has a molecular weight of 216.67 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(dimethoxymethyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 118192914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).