6-fluoro-5-formylpyridine-3-carbonitrile

C7H3FN2O — CID 121380176

IUPAC6-fluoro-5-formylpyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C=O)c1
InChIInChI=1S/C7H3FN2O/c8-7-6(4-11)1-5(2-9)3-10-7/h1,3-4H
InChIKeyIOVZQFJGXQUOPD-UHFFFAOYSA-N
MW150.11 g/mol
LogP0.90
Rot. Bonds1

About 6-fluoro-5-formylpyridine-3-carbonitrile

6-fluoro-5-formylpyridine-3-carbonitrile (PubChem CID 121380176) has the molecular formula C7H3FN2O and a molecular weight of 150.11 g/mol. Its IUPAC name is 6-fluoro-5-formylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-5-formylpyridine-3-carbonitrile
PubChem CID121380176
Molecular FormulaC7H3FN2O
Molecular Weight150.11 g/mol
Exact Mass150.02
IUPAC Name6-fluoro-5-formylpyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C=O)c1
InChIInChI=1S/C7H3FN2O/c8-7-6(4-11)1-5(2-9)3-10-7/h1,3-4H
InChIKeyIOVZQFJGXQUOPD-UHFFFAOYSA-N
XLogP0.90
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 50.90
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 6-fluoro-5-formylpyridine-3-carbonitrile?
The IUPAC name of 6-fluoro-5-formylpyridine-3-carbonitrile (CID 121380176) is 6-fluoro-5-formylpyridine-3-carbonitrile.
What is the SMILES notation for 6-fluoro-5-formylpyridine-3-carbonitrile?
The canonical SMILES for 6-fluoro-5-formylpyridine-3-carbonitrile is N#Cc1cnc(F)c(C=O)c1.
What is the InChIKey of 6-fluoro-5-formylpyridine-3-carbonitrile?
The InChIKey is IOVZQFJGXQUOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN2O/c8-7-6(4-11)1-5(2-9)3-10-7/h1,3-4H.
What are the key properties of 6-fluoro-5-formylpyridine-3-carbonitrile?
6-fluoro-5-formylpyridine-3-carbonitrile has a molecular weight of 150.11 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-formylpyridine-3-carbonitrile is sourced from PubChem (CID 121380176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).