5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde

C7H8ClNO — CID 123922086

IUPAC5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde
SMILESCC1CN=CC(Cl)=C1C=O
InChIInChI=1S/C7H8ClNO/c1-5-2-9-3-7(8)6(5)4-10/h3-5H,2H2,1H3
InChIKeyIKMZLPUHGYERJY-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.40
Rot. Bonds1

About 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde

5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde (PubChem CID 123922086) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde
PubChem CID123922086
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde
SMILESCC1CN=CC(Cl)=C1C=O
InChIInChI=1S/C7H8ClNO/c1-5-2-9-3-7(8)6(5)4-10/h3-5H,2H2,1H3
InChIKeyIKMZLPUHGYERJY-UHFFFAOYSA-N
XLogP1.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.40
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-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde?
The IUPAC name of 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde (CID 123922086) is 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde is CC1CN=CC(Cl)=C1C=O.
What is the InChIKey of 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde?
The InChIKey is IKMZLPUHGYERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5-2-9-3-7(8)6(5)4-10/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde?
5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde has a molecular weight of 157.60 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2,3-dihydropyridine-4-carbaldehyde is sourced from PubChem (CID 123922086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).