5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde

C7H5ClFNO2 — CID 164894683

IUPAC5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde
SMILESCOc1ncc(Cl)c(C=O)c1F
InChIInChI=1S/C7H5ClFNO2/c1-12-7-6(9)4(3-11)5(8)2-10-7/h2-3H,1H3
InChIKeyZRRUDCLRDSRJGS-UHFFFAOYSA-N
MW189.57 g/mol
LogP1.70
Rot. Bonds2

About 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde

5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde (PubChem CID 164894683) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde
PubChem CID164894683
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde
SMILESCOc1ncc(Cl)c(C=O)c1F
InChIInChI=1S/C7H5ClFNO2/c1-12-7-6(9)4(3-11)5(8)2-10-7/h2-3H,1H3
InChIKeyZRRUDCLRDSRJGS-UHFFFAOYSA-N
XLogP1.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde?
The IUPAC name of 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde (CID 164894683) is 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde is COc1ncc(Cl)c(C=O)c1F.
What is the InChIKey of 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde?
The InChIKey is ZRRUDCLRDSRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c1-12-7-6(9)4(3-11)5(8)2-10-7/h2-3H,1H3.
What are the key properties of 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde?
5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde has a molecular weight of 189.57 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 164894683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).