2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid

C12H6FN3O3 — CID 107016607

IUPAC2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid
SMILESN#Cc1nccnc1Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H6FN3O3/c13-7-1-2-8(12(17)18)10(5-7)19-11-9(6-14)15-3-4-16-11/h1-5H,(H,17,18)
InChIKeyRYSRCRQHKJZFMK-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.98
Rot. Bonds3

About 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid

2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid (PubChem CID 107016607) has the molecular formula C12H6FN3O3 and a molecular weight of 259.20 g/mol. Its IUPAC name is 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid
PubChem CID107016607
Molecular FormulaC12H6FN3O3
Molecular Weight259.20 g/mol
Exact Mass259.04
IUPAC Name2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid
SMILESN#Cc1nccnc1Oc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H6FN3O3/c13-7-1-2-8(12(17)18)10(5-7)19-11-9(6-14)15-3-4-16-11/h1-5H,(H,17,18)
InChIKeyRYSRCRQHKJZFMK-UHFFFAOYSA-N
XLogP1.98
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 62683663
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016460
2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016480
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574
3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile
CID 62685184
2-(3-chloro-2-cyanophenoxy)-4-fluorobenzoic acid
CID 107016561
5-(3-cyanopyrazin-2-yl)oxy-2-nitrobenzoic acid
CID 107077810
3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 116689023
2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
CID 107014369
3-(2-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 63649826
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid?
The IUPAC name of 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid (CID 107016607) is 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid.
What is the SMILES notation for 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid?
The canonical SMILES for 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid is N#Cc1nccnc1Oc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid?
The InChIKey is RYSRCRQHKJZFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN3O3/c13-7-1-2-8(12(17)18)10(5-7)19-11-9(6-14)15-3-4-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid?
2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid has a molecular weight of 259.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid is sourced from PubChem (CID 107016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).