3-(fluoromethoxy)pyridine-2-carbonitrile

C7H5FN2O — CID 172801646

IUPAC3-(fluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1OCF
InChIInChI=1S/C7H5FN2O/c8-5-11-7-2-1-3-10-6(7)4-9/h1-3H,5H2
InChIKeyQYGJIGWDYQIEIH-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.26
Rot. Bonds2

About 3-(fluoromethoxy)pyridine-2-carbonitrile

3-(fluoromethoxy)pyridine-2-carbonitrile (PubChem CID 172801646) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 3-(fluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(fluoromethoxy)pyridine-2-carbonitrile
PubChem CID172801646
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name3-(fluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1OCF
InChIInChI=1S/C7H5FN2O/c8-5-11-7-2-1-3-10-6(7)4-9/h1-3H,5H2
InChIKeyQYGJIGWDYQIEIH-UHFFFAOYSA-N
XLogP1.26
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile
CID 114470195
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-(2-cyclobutylpropoxy)pyridine-2-carbonitrile
CID 166238588
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868
3-(4-fluorophenyl)pyridine-2-carbonitrile
CID 46312083
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-(fluoromethoxy)pyridine-2-carbonitrile (CID 172801646) is 3-(fluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(fluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-(fluoromethoxy)pyridine-2-carbonitrile is N#Cc1ncccc1OCF.
What is the InChIKey of 3-(fluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is QYGJIGWDYQIEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-5-11-7-2-1-3-10-6(7)4-9/h1-3H,5H2.
What are the key properties of 3-(fluoromethoxy)pyridine-2-carbonitrile?
3-(fluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 152.13 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 172801646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).