3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine

C8H8Cl2N2 — CID 169463327

IUPAC3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
SMILESNCC=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2/c9-7-4-6(2-1-3-11)5-12-8(7)10/h1-2,4-5H,3,11H2
InChIKeyIZOFMIASRKIIMX-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.36
Rot. Bonds2

About 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine

3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine (PubChem CID 169463327) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
PubChem CID169463327
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
SMILESNCC=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2/c9-7-4-6(2-1-3-11)5-12-8(7)10/h1-2,4-5H,3,11H2
InChIKeyIZOFMIASRKIIMX-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine
CID 169463285
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
CID 170498876
3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
CID 169481566
5,6-dichloropyridine-3-carbaldehyde
CID 11535654
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
5-(2-azidoethenyl)-2,3-dichloropyridine
CID 123496215
3-(6-chloro-5-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453082
(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
CID 82284249
5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine
CID 169463540
3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463998
2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
CID 169463667
3-pyrimidin-5-ylprop-2-en-1-amine
CID 54428386

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine (CID 169463327) is 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine is NCC=Cc1cnc(Cl)c(Cl)c1.
What is the InChIKey of 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine?
The InChIKey is IZOFMIASRKIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c9-7-4-6(2-1-3-11)5-12-8(7)10/h1-2,4-5H,3,11H2.
What are the key properties of 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine?
3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine has a molecular weight of 203.07 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 169463327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).