5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde

C16H15ClN2O — CID 87081081

IUPAC5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(NCC2(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C16H15ClN2O/c17-13-3-1-12(2-4-13)16(7-8-16)11-19-14-5-6-15(10-20)18-9-14/h1-6,9-10,19H,7-8,11H2
InChIKeyJXVXDAUYODDPKJ-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.69
Rot. Bonds5

About 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde

5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde (PubChem CID 87081081) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde
PubChem CID87081081
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(NCC2(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C16H15ClN2O/c17-13-3-1-12(2-4-13)16(7-8-16)11-19-14-5-6-15(10-20)18-9-14/h1-6,9-10,19H,7-8,11H2
InChIKeyJXVXDAUYODDPKJ-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
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 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde?
The IUPAC name of 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde (CID 87081081) is 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde is O=Cc1ccc(NCC2(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde?
The InChIKey is JXVXDAUYODDPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-3-1-12(2-4-13)16(7-8-16)11-19-14-5-6-15(10-20)18-9-14/h1-6,9-10,19H,7-8,11H2.
What are the key properties of 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde?
5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde has a molecular weight of 286.76 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyridine-2-carbaldehyde is sourced from PubChem (CID 87081081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).