5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde

C13H10ClNO — CID 96599344

IUPAC5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1c(Cl)cccc1-c1cncc(C=O)c1
InChIInChI=1S/C13H10ClNO/c1-9-12(3-2-4-13(9)14)11-5-10(8-16)6-15-7-11/h2-8H,1H3
InChIKeyLDNYVFNKTZDMNP-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.52
Rot. Bonds2

About 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde

5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde (PubChem CID 96599344) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
PubChem CID96599344
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1c(Cl)cccc1-c1cncc(C=O)c1
InChIInChI=1S/C13H10ClNO/c1-9-12(3-2-4-13(9)14)11-5-10(8-16)6-15-7-11/h2-8H,1H3
InChIKeyLDNYVFNKTZDMNP-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde (CID 96599344) is 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde is Cc1c(Cl)cccc1-c1cncc(C=O)c1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde?
The InChIKey is LDNYVFNKTZDMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c1-9-12(3-2-4-13(9)14)11-5-10(8-16)6-15-7-11/h2-8H,1H3.
What are the key properties of 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde?
5-(3-chloro-2-methylphenyl)pyridine-3-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 5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 96599344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).