4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane

C19H23ClFN3O2 — CID 145290101

IUPAC4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane
SMILESCCOC.[H]/N=C(/c1c(Cl)cc(C=O)nc1Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H15ClFN3O.C3H8O/c1-9(2)15(19)14-13(17)7-12(8-22)21-16(14)20-11-5-3-10(18)4-6-11;1-3-4-2/h3-9,19H,1-2H3,(H,20,21);3H2,1-2H3/b19-15+;
InChIKeyFNORJLOQQGGDHC-QTCZRQAZSA-N
MW379.86 g/mol
LogP5.11
Rot. Bonds6

About 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane

4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane (PubChem CID 145290101) has the molecular formula C19H23ClFN3O2 and a molecular weight of 379.86 g/mol. Its IUPAC name is 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane
PubChem CID145290101
Molecular FormulaC19H23ClFN3O2
Molecular Weight379.86 g/mol
Exact Mass379.15
IUPAC Name4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane
SMILESCCOC.[H]/N=C(/c1c(Cl)cc(C=O)nc1Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H15ClFN3O.C3H8O/c1-9(2)15(19)14-13(17)7-12(8-22)21-16(14)20-11-5-3-10(18)4-6-11;1-3-4-2/h3-9,19H,1-2H3,(H,20,21);3H2,1-2H3/b19-15+;
InChIKeyFNORJLOQQGGDHC-QTCZRQAZSA-N
XLogP5.11
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.86
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane?
The IUPAC name of 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane (CID 145290101) is 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane.
What is the SMILES notation for 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane?
The canonical SMILES for 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane is CCOC.[H]/N=C(/c1c(Cl)cc(C=O)nc1Nc1ccc(F)cc1)C(C)C.
What is the InChIKey of 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane?
The InChIKey is FNORJLOQQGGDHC-QTCZRQAZSA-N. The full InChI is InChI=1S/C16H15ClFN3O.C3H8O/c1-9(2)15(19)14-13(17)7-12(8-22)21-16(14)20-11-5-3-10(18)4-6-11;1-3-4-2/h3-9,19H,1-2H3,(H,20,21);3H2,1-2H3/b19-15+;.
What are the key properties of 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane?
4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane has a molecular weight of 379.86 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carbaldehyde;methoxyethane is sourced from PubChem (CID 145290101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).