5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde

C10H7ClN2O — CID 87180422

IUPAC5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cl)n1-c1ccccn1
InChIInChI=1S/C10H7ClN2O/c11-9-5-4-8(7-14)13(9)10-3-1-2-6-12-10/h1-7H
InChIKeyIKBGEJUZPRPQLC-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.34
Rot. Bonds2

About 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde

5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde (PubChem CID 87180422) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde
PubChem CID87180422
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cl)n1-c1ccccn1
InChIInChI=1S/C10H7ClN2O/c11-9-5-4-8(7-14)13(9)10-3-1-2-6-12-10/h1-7H
InChIKeyIKBGEJUZPRPQLC-UHFFFAOYSA-N
XLogP2.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde?
The IUPAC name of 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde (CID 87180422) is 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde.
What is the SMILES notation for 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde?
The canonical SMILES for 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde is O=Cc1ccc(Cl)n1-c1ccccn1.
What is the InChIKey of 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde?
The InChIKey is IKBGEJUZPRPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-5-4-8(7-14)13(9)10-3-1-2-6-12-10/h1-7H.
What are the key properties of 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde?
5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde has a molecular weight of 206.63 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde is sourced from PubChem (CID 87180422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).