2-fluoro-4-methoxypyridine-3-carbaldehyde

C7H6FNO2 — CID 45083842

IUPAC2-fluoro-4-methoxypyridine-3-carbaldehyde
SMILESCOc1ccnc(F)c1C=O
InChIInChI=1S/C7H6FNO2/c1-11-6-2-3-9-7(8)5(6)4-10/h2-4H,1H3
InChIKeyZSTBWRCDPCLAAU-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.04
Rot. Bonds2

About 2-fluoro-4-methoxypyridine-3-carbaldehyde

2-fluoro-4-methoxypyridine-3-carbaldehyde (PubChem CID 45083842) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is 2-fluoro-4-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-4-methoxypyridine-3-carbaldehyde
PubChem CID45083842
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Name2-fluoro-4-methoxypyridine-3-carbaldehyde
SMILESCOc1ccnc(F)c1C=O
InChIInChI=1S/C7H6FNO2/c1-11-6-2-3-9-7(8)5(6)4-10/h2-4H,1H3
InChIKeyZSTBWRCDPCLAAU-UHFFFAOYSA-N
XLogP1.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
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 2-fluoro-4-methoxypyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-4-methoxypyridine-3-carbaldehyde (CID 45083842) is 2-fluoro-4-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-4-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-4-methoxypyridine-3-carbaldehyde is COc1ccnc(F)c1C=O.
What is the InChIKey of 2-fluoro-4-methoxypyridine-3-carbaldehyde?
The InChIKey is ZSTBWRCDPCLAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c1-11-6-2-3-9-7(8)5(6)4-10/h2-4H,1H3.
What are the key properties of 2-fluoro-4-methoxypyridine-3-carbaldehyde?
2-fluoro-4-methoxypyridine-3-carbaldehyde has a molecular weight of 155.13 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 45083842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).