1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde

C8H10FNO — CID 174856746

IUPAC1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde
SMILESCC1=CC(C=O)N(F)C(C)=C1
InChIInChI=1S/C8H10FNO/c1-6-3-7(2)10(9)8(4-6)5-11/h3-5,8H,1-2H3
InChIKeyRALNBPUEXFYLOC-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.60
Rot. Bonds1

About 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde

1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde (PubChem CID 174856746) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde
PubChem CID174856746
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde
SMILESCC1=CC(C=O)N(F)C(C)=C1
InChIInChI=1S/C8H10FNO/c1-6-3-7(2)10(9)8(4-6)5-11/h3-5,8H,1-2H3
InChIKeyRALNBPUEXFYLOC-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde?
The IUPAC name of 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde (CID 174856746) is 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde.
What is the SMILES notation for 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde?
The canonical SMILES for 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde is CC1=CC(C=O)N(F)C(C)=C1.
What is the InChIKey of 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde?
The InChIKey is RALNBPUEXFYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-6-3-7(2)10(9)8(4-6)5-11/h3-5,8H,1-2H3.
What are the key properties of 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde?
1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde has a molecular weight of 155.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,6-dimethyl-2H-pyridine-2-carbaldehyde is sourced from PubChem (CID 174856746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).