2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde

C7H8FNO — CID 143330855

IUPAC2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde
SMILESCN1C=C(C=O)C=CC1F
InChIInChI=1S/C7H8FNO/c1-9-4-6(5-10)2-3-7(9)8/h2-5,7H,1H3
InChIKeyNMPOQDOWZNBADA-UHFFFAOYSA-N
MW141.14 g/mol
LogP0.87
Rot. Bonds1

About 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde

2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde (PubChem CID 143330855) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde
PubChem CID143330855
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde
SMILESCN1C=C(C=O)C=CC1F
InChIInChI=1S/C7H8FNO/c1-9-4-6(5-10)2-3-7(9)8/h2-5,7H,1H3
InChIKeyNMPOQDOWZNBADA-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde?
The IUPAC name of 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde (CID 143330855) is 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde.
What is the SMILES notation for 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde?
The canonical SMILES for 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde is CN1C=C(C=O)C=CC1F.
What is the InChIKey of 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde?
The InChIKey is NMPOQDOWZNBADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-9-4-6(5-10)2-3-7(9)8/h2-5,7H,1H3.
What are the key properties of 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde?
2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde has a molecular weight of 141.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-2H-pyridine-5-carbaldehyde is sourced from PubChem (CID 143330855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).