3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine

C9H11Cl2FN2O — CID 166995843

IUPAC3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
SMILESCC(C)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C9H11Cl2FN2O/c1-4(2)3-15-9-6(11)7(13)5(10)8(12)14-9/h4H,3H2,1-2H3,(H2,13,14)
InChIKeyJSYZHCLMRPLTSP-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.14
Rot. Bonds3

About 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine

3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine (PubChem CID 166995843) has the molecular formula C9H11Cl2FN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
PubChem CID166995843
Molecular FormulaC9H11Cl2FN2O
Molecular Weight253.10 g/mol
Exact Mass252.02
IUPAC Name3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
SMILESCC(C)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C9H11Cl2FN2O/c1-4(2)3-15-9-6(11)7(13)5(10)8(12)14-9/h4H,3H2,1-2H3,(H2,13,14)
InChIKeyJSYZHCLMRPLTSP-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.14
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 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine?
The IUPAC name of 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine (CID 166995843) is 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine.
What is the SMILES notation for 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine?
The canonical SMILES for 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine is CC(C)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine?
The InChIKey is JSYZHCLMRPLTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2FN2O/c1-4(2)3-15-9-6(11)7(13)5(10)8(12)14-9/h4H,3H2,1-2H3,(H2,13,14).
What are the key properties of 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine?
3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine has a molecular weight of 253.10 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine is sourced from PubChem (CID 166995843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).