2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde

C7H8FNO2 — CID 175701331

IUPAC2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde
SMILESCOC1(F)N=CC=CC1C=O
InChIInChI=1S/C7H8FNO2/c1-11-7(8)6(5-10)3-2-4-9-7/h2-6H,1H3
InChIKeyUBGRVJNEZFRSPR-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.71
Rot. Bonds2

About 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde

2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde (PubChem CID 175701331) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde
PubChem CID175701331
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde
SMILESCOC1(F)N=CC=CC1C=O
InChIInChI=1S/C7H8FNO2/c1-11-7(8)6(5-10)3-2-4-9-7/h2-6H,1H3
InChIKeyUBGRVJNEZFRSPR-UHFFFAOYSA-N
XLogP0.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-2-methoxy-3H-pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde (CID 175701331) is 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde is COC1(F)N=CC=CC1C=O.
What is the InChIKey of 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde?
The InChIKey is UBGRVJNEZFRSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-11-7(8)6(5-10)3-2-4-9-7/h2-6H,1H3.
What are the key properties of 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde?
2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde has a molecular weight of 157.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methoxy-3H-pyridine-3-carbaldehyde is sourced from PubChem (CID 175701331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).