6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde

C14H13ClN2O — CID 80638202

IUPAC6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
SMILESCN(Cc1cccc(Cl)c1)c1ccc(C=O)cn1
InChIInChI=1S/C14H13ClN2O/c1-17(9-11-3-2-4-13(15)7-11)14-6-5-12(10-18)8-16-14/h2-8,10H,9H2,1H3
InChIKeyJPHOWKLRRDWDTM-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.18
Rot. Bonds4

About 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde

6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde (PubChem CID 80638202) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
PubChem CID80638202
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
SMILESCN(Cc1cccc(Cl)c1)c1ccc(C=O)cn1
InChIInChI=1S/C14H13ClN2O/c1-17(9-11-3-2-4-13(15)7-11)14-6-5-12(10-18)8-16-14/h2-8,10H,9H2,1H3
InChIKeyJPHOWKLRRDWDTM-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde
CID 143399607
5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
CID 115656903
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde (CID 80638202) is 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde is CN(Cc1cccc(Cl)c1)c1ccc(C=O)cn1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde?
The InChIKey is JPHOWKLRRDWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-17(9-11-3-2-4-13(15)7-11)14-6-5-12(10-18)8-16-14/h2-8,10H,9H2,1H3.
What are the key properties of 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde?
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde has a molecular weight of 260.72 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80638202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).