2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde

C12H9Cl2N3O — CID 58259252

IUPAC2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(NCc2ccc(Cl)nc2)nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-10-3-1-8(5-15-10)6-16-11-4-2-9(7-18)12(14)17-11/h1-5,7H,6H2,(H,16,17)
InChIKeyMSACYQYXOXQSLQ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde

2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde (PubChem CID 58259252) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde
PubChem CID58259252
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(NCc2ccc(Cl)nc2)nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-10-3-1-8(5-15-10)6-16-11-4-2-9(7-18)12(14)17-11/h1-5,7H,6H2,(H,16,17)
InChIKeyMSACYQYXOXQSLQ-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde (CID 58259252) is 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde is O=Cc1ccc(NCc2ccc(Cl)nc2)nc1Cl.
What is the InChIKey of 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde?
The InChIKey is MSACYQYXOXQSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-10-3-1-8(5-15-10)6-16-11-4-2-9(7-18)12(14)17-11/h1-5,7H,6H2,(H,16,17).
What are the key properties of 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde?
2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde has a molecular weight of 282.13 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 58259252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).