5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine

C8H8Cl2N2 — CID 169476974

IUPAC5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine
SMILESNc1cc(Cl)cnc1C=CCCl
InChIInChI=1S/C8H8Cl2N2/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3,11H2
InChIKeyJPQARJCGJFLADO-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.57
Rot. Bonds2

About 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine

5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine (PubChem CID 169476974) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine
PubChem CID169476974
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine
SMILESNc1cc(Cl)cnc1C=CCCl
InChIInChI=1S/C8H8Cl2N2/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3,11H2
InChIKeyJPQARJCGJFLADO-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine?
The IUPAC name of 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine (CID 169476974) is 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine?
The canonical SMILES for 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine is Nc1cc(Cl)cnc1C=CCCl.
What is the InChIKey of 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine?
The InChIKey is JPQARJCGJFLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3,11H2.
What are the key properties of 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine?
5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine has a molecular weight of 203.07 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine is sourced from PubChem (CID 169476974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).