2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile

C16H15FN2O — CID 144796289

IUPAC2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1ccc(CC#N)nc1-c1ccc(F)c(C)c1C
InChIInChI=1S/C16H15FN2O/c1-10-11(2)14(17)6-5-13(10)16-15(20-3)7-4-12(19-16)8-9-18/h4-7H,8H2,1-3H3
InChIKeyPSEKMWXCHLIPAT-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.58
Rot. Bonds3

About 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile

2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile (PubChem CID 144796289) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile
PubChem CID144796289
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1ccc(CC#N)nc1-c1ccc(F)c(C)c1C
InChIInChI=1S/C16H15FN2O/c1-10-11(2)14(17)6-5-13(10)16-15(20-3)7-4-12(19-16)8-9-18/h4-7H,8H2,1-3H3
InChIKeyPSEKMWXCHLIPAT-UHFFFAOYSA-N
XLogP3.58
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile (CID 144796289) is 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile is COc1ccc(CC#N)nc1-c1ccc(F)c(C)c1C.
What is the InChIKey of 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is PSEKMWXCHLIPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-11(2)14(17)6-5-13(10)16-15(20-3)7-4-12(19-16)8-9-18/h4-7H,8H2,1-3H3.
What are the key properties of 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile?
2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 144796289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).