2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine

C7H9Cl2N3O — CID 21388671

IUPAC2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine
SMILESNCCOc1ncc(Cl)c(N)c1Cl
InChIInChI=1S/C7H9Cl2N3O/c8-4-3-12-7(13-2-1-10)5(9)6(4)11/h3H,1-2,10H2,(H2,11,12)
InChIKeyAIBQBNMRMDTPFE-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.31
Rot. Bonds3

About 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine

2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine (PubChem CID 21388671) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine
PubChem CID21388671
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine
SMILESNCCOc1ncc(Cl)c(N)c1Cl
InChIInChI=1S/C7H9Cl2N3O/c8-4-3-12-7(13-2-1-10)5(9)6(4)11/h3H,1-2,10H2,(H2,11,12)
InChIKeyAIBQBNMRMDTPFE-UHFFFAOYSA-N
XLogP1.31
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine?
The IUPAC name of 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine (CID 21388671) is 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine.
What is the SMILES notation for 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine?
The canonical SMILES for 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine is NCCOc1ncc(Cl)c(N)c1Cl.
What is the InChIKey of 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine?
The InChIKey is AIBQBNMRMDTPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O/c8-4-3-12-7(13-2-1-10)5(9)6(4)11/h3H,1-2,10H2,(H2,11,12).
What are the key properties of 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine?
2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine has a molecular weight of 222.07 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-3,5-dichloropyridin-4-amine is sourced from PubChem (CID 21388671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).