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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Related Compounds

2-[5-methoxy-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134636450
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 84765026
2-[5-methoxy-6-(2,3,6-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094290
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094175
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094996
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134637614
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
[5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol
CID 133093703

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).