1-(4-chloro-2-pyridinyl)prop-2-en-1-amine

C8H9ClN2 — CID 55294042

IUPAC1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(Cl)ccn1
InChIInChI=1S/C8H9ClN2/c1-2-7(10)8-5-6(9)3-4-11-8/h2-5,7H,1,10H2
InChIKeyONOLCJHHCTZOEZ-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.92
Rot. Bonds2

About 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine

1-(4-chloro-2-pyridinyl)prop-2-en-1-amine (PubChem CID 55294042) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
PubChem CID55294042
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(Cl)ccn1
InChIInChI=1S/C8H9ClN2/c1-2-7(10)8-5-6(9)3-4-11-8/h2-5,7H,1,10H2
InChIKeyONOLCJHHCTZOEZ-UHFFFAOYSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine (CID 55294042) is 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine is C=CC(N)c1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is ONOLCJHHCTZOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-2-7(10)8-5-6(9)3-4-11-8/h2-5,7H,1,10H2.
What are the key properties of 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine?
1-(4-chloro-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 168.63 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 55294042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).