2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid

C14H8F2N2O3 — CID 146400075

IUPAC2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid
SMILESN#Cc1ccc(Oc2ccc(C(F)(F)C(=O)O)nc2)cc1
InChIInChI=1S/C14H8F2N2O3/c15-14(16,13(19)20)12-6-5-11(8-18-12)21-10-3-1-9(7-17)2-4-10/h1-6,8H,(H,19,20)
InChIKeyVCNPAVVRPVBQQA-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.92
Rot. Bonds4

About 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid

2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid (PubChem CID 146400075) has the molecular formula C14H8F2N2O3 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid
PubChem CID146400075
Molecular FormulaC14H8F2N2O3
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid
SMILESN#Cc1ccc(Oc2ccc(C(F)(F)C(=O)O)nc2)cc1
InChIInChI=1S/C14H8F2N2O3/c15-14(16,13(19)20)12-6-5-11(8-18-12)21-10-3-1-9(7-17)2-4-10/h1-6,8H,(H,19,20)
InChIKeyVCNPAVVRPVBQQA-UHFFFAOYSA-N
XLogP2.92
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-(2,4-difluorophenyl)-2-ethoxy-1,1-difluoro-2-hydroxyethyl]-3-pyridinyl]oxy]benzonitrile;methane;molecular iodine
CID 157330326
4-[[6-[2-(2,4-difluorophenyl)-2-ethoxy-1,1-difluoro-2-hydroxyethyl]-3-pyridinyl]oxy]benzonitrile;ethane
CID 145315236
4-[[5-(4-phenylphenoxy)-1H-imidazol-2-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 67612631
4-[[6-[2-(2,4-difluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]methoxy]benzonitrile
CID 162571951
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
4-[[6-[3-(5-bromo-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
CID 134524236
4-[6-(trifluoromethyl)borinin-3-yl]oxybenzonitrile
CID 144747471
3-[4-(4-cyanophenoxy)phenyl]propanoic acid
CID 116996810
4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-iodo-1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile
CID 134523884
(2S)-2-benzyl-3-(4-cyanophenoxy)-2-hydroxypropanoic acid
CID 70837094
4-[(6-cyano-3-pyridinyl)oxy]benzamide
CID 115487898
butyl N-aminocarbamate;N-[3-[5-(4-cyanophenoxy)-2-pyridinyl]-3,3-difluoro-2-(2-fluoro-4-methylphenyl)propyl]methanethioamide
CID 142354805

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid?
The IUPAC name of 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid (CID 146400075) is 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid.
What is the SMILES notation for 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid?
The canonical SMILES for 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid is N#Cc1ccc(Oc2ccc(C(F)(F)C(=O)O)nc2)cc1.
What is the InChIKey of 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid?
The InChIKey is VCNPAVVRPVBQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O3/c15-14(16,13(19)20)12-6-5-11(8-18-12)21-10-3-1-9(7-17)2-4-10/h1-6,8H,(H,19,20).
What are the key properties of 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid?
2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid has a molecular weight of 290.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetic acid is sourced from PubChem (CID 146400075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).