3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile

C14H11FN2O — CID 156731509

IUPAC3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
SMILESCc1cccc(OCc2ccc(C#N)cc2F)n1
InChIInChI=1S/C14H11FN2O/c1-10-3-2-4-14(17-10)18-9-12-6-5-11(8-16)7-13(12)15/h2-7H,9H2,1H3
InChIKeySHBWOQBNODBVIJ-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.98
Rot. Bonds3

About 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile

3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile (PubChem CID 156731509) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
PubChem CID156731509
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
SMILESCc1cccc(OCc2ccc(C#N)cc2F)n1
InChIInChI=1S/C14H11FN2O/c1-10-3-2-4-14(17-10)18-9-12-6-5-11(8-16)7-13(12)15/h2-7H,9H2,1H3
InChIKeySHBWOQBNODBVIJ-UHFFFAOYSA-N
XLogP2.98
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]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

4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
4-[[6-(azetidin-3-ylamino)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 165174651
3-fluoro-4-[(6-piperidin-1-id-4-yl-2-pyridinyl)oxymethyl]benzonitrile
CID 178135367
methyl 2-[4-[[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]oxy]-2,5-difluorophenyl]acetate
CID 175522713
methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate
CID 155433808
4-[[6-(1,4-diazepan-1-yl)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 164544839
4-[(3-amino-2-methylphenoxy)methyl]-3-fluorobenzonitrile
CID 43437885
3-fluoro-4-[[6-(2-oxopiperazin-1-yl)-2-pyridinyl]oxymethyl]benzonitrile
CID 150388776
2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178144049
4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115956515
4-[[2-(aminomethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115951804
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile (CID 156731509) is 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile is Cc1cccc(OCc2ccc(C#N)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile?
The InChIKey is SHBWOQBNODBVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-10-3-2-4-14(17-10)18-9-12-6-5-11(8-16)7-13(12)15/h2-7H,9H2,1H3.
What are the key properties of 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile?
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile has a molecular weight of 242.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile is sourced from PubChem (CID 156731509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).