4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde

C7H6Cl2N2O — CID 169147445

IUPAC4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde
SMILESCNc1c(Cl)cc(Cl)nc1C=O
InChIInChI=1S/C7H6Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2-3,10H,1H3
InChIKeySFPVWQDPEPEZSV-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.24
Rot. Bonds2

About 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde

4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde (PubChem CID 169147445) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde
PubChem CID169147445
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde
SMILESCNc1c(Cl)cc(Cl)nc1C=O
InChIInChI=1S/C7H6Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2-3,10H,1H3
InChIKeySFPVWQDPEPEZSV-UHFFFAOYSA-N
XLogP2.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
The IUPAC name of 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde (CID 169147445) is 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
The canonical SMILES for 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde is CNc1c(Cl)cc(Cl)nc1C=O.
What is the InChIKey of 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
The InChIKey is SFPVWQDPEPEZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2-3,10H,1H3.
What are the key properties of 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde has a molecular weight of 205.04 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde is sourced from PubChem (CID 169147445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).