2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde

C8H7ClN2O — CID 169168639

IUPAC2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde
SMILESN/C=C(/Cl)c1cc(C=O)ccn1
InChIInChI=1S/C8H7ClN2O/c9-7(4-10)8-3-6(5-12)1-2-11-8/h1-5H,10H2/b7-4+
InChIKeyLJYYGOZDONSVPZ-QPJJXVBHSA-N
MW182.61 g/mol
LogP1.39
Rot. Bonds2

About 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde

2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde (PubChem CID 169168639) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde
PubChem CID169168639
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde
SMILESN/C=C(/Cl)c1cc(C=O)ccn1
InChIInChI=1S/C8H7ClN2O/c9-7(4-10)8-3-6(5-12)1-2-11-8/h1-5H,10H2/b7-4+
InChIKeyLJYYGOZDONSVPZ-QPJJXVBHSA-N
XLogP1.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde?
The IUPAC name of 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde (CID 169168639) is 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde is N/C=C(/Cl)c1cc(C=O)ccn1.
What is the InChIKey of 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde?
The InChIKey is LJYYGOZDONSVPZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-7(4-10)8-3-6(5-12)1-2-11-8/h1-5H,10H2/b7-4+.
What are the key properties of 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde?
2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde has a molecular weight of 182.61 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 169168639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).