3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde

C13H10ClNO2 — CID 172649246

IUPAC3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1cc(-c2cc(Cl)cc(C=O)c2)ccn1
InChIInChI=1S/C13H10ClNO2/c1-17-13-7-10(2-3-15-13)11-4-9(8-16)5-12(14)6-11/h2-8H,1H3
InChIKeyZBVMAYCOMCJOSW-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.22
Rot. Bonds3

About 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde

3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde (PubChem CID 172649246) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde
PubChem CID172649246
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde
SMILESCOc1cc(-c2cc(Cl)cc(C=O)c2)ccn1
InChIInChI=1S/C13H10ClNO2/c1-17-13-7-10(2-3-15-13)11-4-9(8-16)5-12(14)6-11/h2-8H,1H3
InChIKeyZBVMAYCOMCJOSW-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde 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 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde?
The IUPAC name of 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde (CID 172649246) is 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde?
The canonical SMILES for 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde is COc1cc(-c2cc(Cl)cc(C=O)c2)ccn1.
What is the InChIKey of 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde?
The InChIKey is ZBVMAYCOMCJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-17-13-7-10(2-3-15-13)11-4-9(8-16)5-12(14)6-11/h2-8H,1H3.
What are the key properties of 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde?
3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde has a molecular weight of 247.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde is sourced from PubChem (CID 172649246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).