3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde

C9H11ClN2O — CID 155338894

IUPAC3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde
SMILESCN(C)Cc1cnc(C=O)c(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)5-7-3-8(10)9(6-13)11-4-7/h3-4,6H,5H2,1-2H3
InChIKeyOUDRQHKDMUGBAM-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.61
Rot. Bonds3

About 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde

3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde (PubChem CID 155338894) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde
PubChem CID155338894
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde
SMILESCN(C)Cc1cnc(C=O)c(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)5-7-3-8(10)9(6-13)11-4-7/h3-4,6H,5H2,1-2H3
InChIKeyOUDRQHKDMUGBAM-UHFFFAOYSA-N
XLogP1.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde (CID 155338894) is 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde is CN(C)Cc1cnc(C=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde?
The InChIKey is OUDRQHKDMUGBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(2)5-7-3-8(10)9(6-13)11-4-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde?
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde has a molecular weight of 198.65 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 155338894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).