2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde

C13H10ClNO — CID 90486424

IUPAC2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde
SMILESCc1ccc(-c2cc(C=O)cc(Cl)n2)cc1
InChIInChI=1S/C13H10ClNO/c1-9-2-4-11(5-3-9)12-6-10(8-16)7-13(14)15-12/h2-8H,1H3
InChIKeyKGOOPCGTEHOUHX-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.52
Rot. Bonds2

About 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde

2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde (PubChem CID 90486424) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde
PubChem CID90486424
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde
SMILESCc1ccc(-c2cc(C=O)cc(Cl)n2)cc1
InChIInChI=1S/C13H10ClNO/c1-9-2-4-11(5-3-9)12-6-10(8-16)7-13(14)15-12/h2-8H,1H3
InChIKeyKGOOPCGTEHOUHX-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-(4-methylphenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde (CID 90486424) is 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde is Cc1ccc(-c2cc(C=O)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde?
The InChIKey is KGOOPCGTEHOUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c1-9-2-4-11(5-3-9)12-6-10(8-16)7-13(14)15-12/h2-8H,1H3.
What are the key properties of 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde?
2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde has a molecular weight of 231.68 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 90486424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).