(Z)-2-chloro-3-pyridin-2-ylprop-2-enal

C8H6ClNO — CID 12946087

IUPAC(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
SMILESO=C/C(Cl)=C/c1ccccn1
InChIInChI=1S/C8H6ClNO/c9-7(6-11)5-8-3-1-2-4-10-8/h1-6H/b7-5-
InChIKeyVLTUQPKHTVEAFO-ALCCZGGFSA-N
MW167.59 g/mol
LogP1.86
Rot. Bonds2

About (Z)-2-chloro-3-pyridin-2-ylprop-2-enal

(Z)-2-chloro-3-pyridin-2-ylprop-2-enal (PubChem CID 12946087) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is (Z)-2-chloro-3-pyridin-2-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
PubChem CID12946087
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
SMILESO=C/C(Cl)=C/c1ccccn1
InChIInChI=1S/C8H6ClNO/c9-7(6-11)5-8-3-1-2-4-10-8/h1-6H/b7-5-
InChIKeyVLTUQPKHTVEAFO-ALCCZGGFSA-N
XLogP1.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-chloro-3-pyridin-2-ylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
CID 173269986
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol
CID 164511358
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
(2Z)-2-(pyridin-2-ylmethylidene)hexanal
CID 88508885
(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
CID 173269865
(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 173270130
2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
CID 177312933
2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 54365611

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-3-pyridin-2-ylprop-2-enal?
The IUPAC name of (Z)-2-chloro-3-pyridin-2-ylprop-2-enal (CID 12946087) is (Z)-2-chloro-3-pyridin-2-ylprop-2-enal.
What is the SMILES notation for (Z)-2-chloro-3-pyridin-2-ylprop-2-enal?
The canonical SMILES for (Z)-2-chloro-3-pyridin-2-ylprop-2-enal is O=C/C(Cl)=C/c1ccccn1.
What is the InChIKey of (Z)-2-chloro-3-pyridin-2-ylprop-2-enal?
The InChIKey is VLTUQPKHTVEAFO-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-7(6-11)5-8-3-1-2-4-10-8/h1-6H/b7-5-.
What are the key properties of (Z)-2-chloro-3-pyridin-2-ylprop-2-enal?
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal has a molecular weight of 167.59 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-3-pyridin-2-ylprop-2-enal is sourced from PubChem (CID 12946087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).