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

C8H9ClN2O — CID 115016813

IUPAC2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde
SMILESCN(C)c1cc(C=O)cc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-11(2)8-4-6(5-12)3-7(9)10-8/h3-5H,1-2H3
InChIKeySHNGMZOXXUSAMA-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.61
Rot. Bonds2

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

2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde (PubChem CID 115016813) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde
PubChem CID115016813
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde
SMILESCN(C)c1cc(C=O)cc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-11(2)8-4-6(5-12)3-7(9)10-8/h3-5H,1-2H3
InChIKeySHNGMZOXXUSAMA-UHFFFAOYSA-N
XLogP1.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.61
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-6-(dimethylamino)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde (CID 115016813) is 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde is CN(C)c1cc(C=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde?
The InChIKey is SHNGMZOXXUSAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11(2)8-4-6(5-12)3-7(9)10-8/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde?
2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde has a molecular weight of 184.63 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde is sourced from PubChem (CID 115016813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).