5,6-dichloro-N-prop-2-enylpyridin-3-amine

C8H8Cl2N2 — CID 141137944

IUPAC5,6-dichloro-N-prop-2-enylpyridin-3-amine
SMILESC=CCNc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2/c1-2-3-11-6-4-7(9)8(10)12-5-6/h2,4-5,11H,1,3H2
InChIKeyUAWIFGCGNZRULU-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.99
Rot. Bonds3

About 5,6-dichloro-N-prop-2-enylpyridin-3-amine

5,6-dichloro-N-prop-2-enylpyridin-3-amine (PubChem CID 141137944) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 5,6-dichloro-N-prop-2-enylpyridin-3-amine.

Molecular Properties

Compound Name5,6-dichloro-N-prop-2-enylpyridin-3-amine
PubChem CID141137944
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name5,6-dichloro-N-prop-2-enylpyridin-3-amine
SMILESC=CCNc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2/c1-2-3-11-6-4-7(9)8(10)12-5-6/h2,4-5,11H,1,3H2
InChIKeyUAWIFGCGNZRULU-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-prop-2-enylpyridin-3-amine?
The IUPAC name of 5,6-dichloro-N-prop-2-enylpyridin-3-amine (CID 141137944) is 5,6-dichloro-N-prop-2-enylpyridin-3-amine.
What is the SMILES notation for 5,6-dichloro-N-prop-2-enylpyridin-3-amine?
The canonical SMILES for 5,6-dichloro-N-prop-2-enylpyridin-3-amine is C=CCNc1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-prop-2-enylpyridin-3-amine?
The InChIKey is UAWIFGCGNZRULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-2-3-11-6-4-7(9)8(10)12-5-6/h2,4-5,11H,1,3H2.
What are the key properties of 5,6-dichloro-N-prop-2-enylpyridin-3-amine?
5,6-dichloro-N-prop-2-enylpyridin-3-amine has a molecular weight of 203.07 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 141137944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).