2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde

C13H10ClNO2 — CID 164894115

IUPAC2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ccnc(Cl)c2C=O)cc1
InChIInChI=1S/C13H10ClNO2/c1-17-10-4-2-9(3-5-10)11-6-7-15-13(14)12(11)8-16/h2-8H,1H3
InChIKeySUFALFQONMOFNM-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde

2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde (PubChem CID 164894115) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
PubChem CID164894115
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ccnc(Cl)c2C=O)cc1
InChIInChI=1S/C13H10ClNO2/c1-17-10-4-2-9(3-5-10)11-6-7-15-13(14)12(11)8-16/h2-8H,1H3
InChIKeySUFALFQONMOFNM-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde (CID 164894115) is 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde is COc1ccc(-c2ccnc(Cl)c2C=O)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is SUFALFQONMOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-17-10-4-2-9(3-5-10)11-6-7-15-13(14)12(11)8-16/h2-8H,1H3.
What are the key properties of 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde?
2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde 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 2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 164894115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).