2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile

C14H9FN2O2 — CID 86611547

IUPAC2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCc1nc(Oc2ccc(C#N)c(F)c2)ccc1C=O
InChIInChI=1S/C14H9FN2O2/c1-9-11(8-18)3-5-14(17-9)19-12-4-2-10(7-16)13(15)6-12/h2-6,8H,1H3
InChIKeyHLVDKYBOJBNICG-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.01
Rot. Bonds3

About 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile

2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 86611547) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile
PubChem CID86611547
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCc1nc(Oc2ccc(C#N)c(F)c2)ccc1C=O
InChIInChI=1S/C14H9FN2O2/c1-9-11(8-18)3-5-14(17-9)19-12-4-2-10(7-16)13(15)6-12/h2-6,8H,1H3
InChIKeyHLVDKYBOJBNICG-UHFFFAOYSA-N
XLogP3.01
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Fluorophenoxy)pyridine-3-carbaldehyde
CID 3382953
4,6-Dimethyl-2-(2-oxo-2-phenylethoxy)pyridine-3-carbonitrile
CID 661430
2-[2-(4-Methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 950785
6-(4-Methylphenoxy)nicotinaldehyde
CID 2764054
Methyl 5-cyano-6-(4-fluorophenoxy)-2-methylnicotinate
CID 1471656
Methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate
CID 1471658
Methyl 5-cyano-6-isopropoxy-2-methylnicotinate
CID 1471659
5-Acetyl-2-(2-methoxyphenoxy)-6-methylnicotinonitrile
CID 1471701
5-Acetyl-2-(3,5-dimethylphenoxy)-6-methylpyridine-3-carbonitrile
CID 1471702
Ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylnicotinate
CID 2769128
6-Methoxy-2-methylpyridine-3-carbaldehyde
CID 11819218
Methyl 5-cyano-6-(2-methoxyphenoxy)-2-methylnicotinate
CID 1471663

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile (CID 86611547) is 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile is Cc1nc(Oc2ccc(C#N)c(F)c2)ccc1C=O.
What is the InChIKey of 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is HLVDKYBOJBNICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c1-9-11(8-18)3-5-14(17-9)19-12-4-2-10(7-16)13(15)6-12/h2-6,8H,1H3.
What are the key properties of 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile?
2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile has a molecular weight of 256.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-formyl-6-methyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 86611547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).