1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde

C11H6ClF3N2O — CID 2773905

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(17)6-18/h1-6H
InChIKeyYKDLDMXRWLLZKB-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.36
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde (PubChem CID 2773905) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde
PubChem CID2773905
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(17)6-18/h1-6H
InChIKeyYKDLDMXRWLLZKB-UHFFFAOYSA-N
XLogP3.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-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 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde (CID 2773905) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde is O=Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde?
The InChIKey is YKDLDMXRWLLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(17)6-18/h1-6H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde has a molecular weight of 274.63 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 2773905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).