3,5-dichloro-6-pent-4-enoxypyridin-2-amine

C10H12Cl2N2O — CID 102761042

IUPAC3,5-dichloro-6-pent-4-enoxypyridin-2-amine
SMILESC=CCCCOc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-2-3-4-5-15-10-8(12)6-7(11)9(13)14-10/h2,6H,1,3-5H2,(H2,13,14)
InChIKeyDKEGUONSVBKSBB-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.32
Rot. Bonds5

About 3,5-dichloro-6-pent-4-enoxypyridin-2-amine

3,5-dichloro-6-pent-4-enoxypyridin-2-amine (PubChem CID 102761042) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 3,5-dichloro-6-pent-4-enoxypyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-pent-4-enoxypyridin-2-amine
PubChem CID102761042
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name3,5-dichloro-6-pent-4-enoxypyridin-2-amine
SMILESC=CCCCOc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-2-3-4-5-15-10-8(12)6-7(11)9(13)14-10/h2,6H,1,3-5H2,(H2,13,14)
InChIKeyDKEGUONSVBKSBB-UHFFFAOYSA-N
XLogP3.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.32
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 3,5-dichloro-6-pent-4-enoxypyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-pent-4-enoxypyridin-2-amine (CID 102761042) is 3,5-dichloro-6-pent-4-enoxypyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-pent-4-enoxypyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-pent-4-enoxypyridin-2-amine is C=CCCCOc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-pent-4-enoxypyridin-2-amine?
The InChIKey is DKEGUONSVBKSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-2-3-4-5-15-10-8(12)6-7(11)9(13)14-10/h2,6H,1,3-5H2,(H2,13,14).
What are the key properties of 3,5-dichloro-6-pent-4-enoxypyridin-2-amine?
3,5-dichloro-6-pent-4-enoxypyridin-2-amine has a molecular weight of 247.12 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-pent-4-enoxypyridin-2-amine is sourced from PubChem (CID 102761042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).