2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile

C9H8F2N2O — CID 130097445

IUPAC2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1ncc(C(F)F)cc1CC#N
InChIInChI=1S/C9H8F2N2O/c1-14-9-6(2-3-12)4-7(5-13-9)8(10)11/h4-5,8H,2H2,1H3
InChIKeyVFTVGCTVNHGNHP-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.09
Rot. Bonds3

About 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile

2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile (PubChem CID 130097445) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
PubChem CID130097445
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1ncc(C(F)F)cc1CC#N
InChIInChI=1S/C9H8F2N2O/c1-14-9-6(2-3-12)4-7(5-13-9)8(10)11/h4-5,8H,2H2,1H3
InChIKeyVFTVGCTVNHGNHP-UHFFFAOYSA-N
XLogP2.09
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile
CID 133105690
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452
2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[3-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133098584

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile (CID 130097445) is 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile is COc1ncc(C(F)F)cc1CC#N.
What is the InChIKey of 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
The InChIKey is VFTVGCTVNHGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-14-9-6(2-3-12)4-7(5-13-9)8(10)11/h4-5,8H,2H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile?
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile has a molecular weight of 198.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).