6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde

C14H19ClN2O — CID 166981483

IUPAC6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde
SMILESCN(Cc1nc(Cl)ccc1C=O)C1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-17(12-5-3-2-4-6-12)9-13-11(10-18)7-8-14(15)16-13/h7-8,10,12H,2-6,9H2,1H3
InChIKeyHOLPKAWYNIFXHS-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.31
Rot. Bonds4

About 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde

6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde (PubChem CID 166981483) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde
PubChem CID166981483
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde
SMILESCN(Cc1nc(Cl)ccc1C=O)C1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-17(12-5-3-2-4-6-12)9-13-11(10-18)7-8-14(15)16-13/h7-8,10,12H,2-6,9H2,1H3
InChIKeyHOLPKAWYNIFXHS-UHFFFAOYSA-N
XLogP3.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.31
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 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde (CID 166981483) is 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde is CN(Cc1nc(Cl)ccc1C=O)C1CCCCC1.
What is the InChIKey of 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde?
The InChIKey is HOLPKAWYNIFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(12-5-3-2-4-6-12)9-13-11(10-18)7-8-14(15)16-13/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde?
6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde has a molecular weight of 266.77 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 166981483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).