6-but-3-enoxy-3,5-dichloropyridin-2-amine

C9H10Cl2N2O — CID 102760392

IUPAC6-but-3-enoxy-3,5-dichloropyridin-2-amine
SMILESC=CCCOc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-2-3-4-14-9-7(11)5-6(10)8(12)13-9/h2,5H,1,3-4H2,(H2,12,13)
InChIKeyKOCKIYXVOCPAHU-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.93
Rot. Bonds4

About 6-but-3-enoxy-3,5-dichloropyridin-2-amine

6-but-3-enoxy-3,5-dichloropyridin-2-amine (PubChem CID 102760392) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 6-but-3-enoxy-3,5-dichloropyridin-2-amine.

Molecular Properties

Compound Name6-but-3-enoxy-3,5-dichloropyridin-2-amine
PubChem CID102760392
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name6-but-3-enoxy-3,5-dichloropyridin-2-amine
SMILESC=CCCOc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-2-3-4-14-9-7(11)5-6(10)8(12)13-9/h2,5H,1,3-4H2,(H2,12,13)
InChIKeyKOCKIYXVOCPAHU-UHFFFAOYSA-N
XLogP2.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-3,5-dichloropyridin-2-amine?
The IUPAC name of 6-but-3-enoxy-3,5-dichloropyridin-2-amine (CID 102760392) is 6-but-3-enoxy-3,5-dichloropyridin-2-amine.
What is the SMILES notation for 6-but-3-enoxy-3,5-dichloropyridin-2-amine?
The canonical SMILES for 6-but-3-enoxy-3,5-dichloropyridin-2-amine is C=CCCOc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 6-but-3-enoxy-3,5-dichloropyridin-2-amine?
The InChIKey is KOCKIYXVOCPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-2-3-4-14-9-7(11)5-6(10)8(12)13-9/h2,5H,1,3-4H2,(H2,12,13).
What are the key properties of 6-but-3-enoxy-3,5-dichloropyridin-2-amine?
6-but-3-enoxy-3,5-dichloropyridin-2-amine has a molecular weight of 233.10 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-3,5-dichloropyridin-2-amine is sourced from PubChem (CID 102760392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).