3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile

C9H9FN2O2 — CID 90098206

IUPAC3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile
SMILESCOCCOc1ccc(F)c(C#N)n1
InChIInChI=1S/C9H9FN2O2/c1-13-4-5-14-9-3-2-7(10)8(6-11)12-9/h2-3H,4-5H2,1H3
InChIKeyRTQVQGADBVBLLK-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.12
Rot. Bonds4

About 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile

3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile (PubChem CID 90098206) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile
PubChem CID90098206
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile
SMILESCOCCOc1ccc(F)c(C#N)n1
InChIInChI=1S/C9H9FN2O2/c1-13-4-5-14-9-3-2-7(10)8(6-11)12-9/h2-3H,4-5H2,1H3
InChIKeyRTQVQGADBVBLLK-UHFFFAOYSA-N
XLogP1.12
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile (CID 90098206) is 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile is COCCOc1ccc(F)c(C#N)n1.
What is the InChIKey of 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile?
The InChIKey is RTQVQGADBVBLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-13-4-5-14-9-3-2-7(10)8(6-11)12-9/h2-3H,4-5H2,1H3.
What are the key properties of 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile?
3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile has a molecular weight of 196.18 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(2-methoxyethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 90098206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).