6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid

C12H9FN2O3 — CID 66456909

IUPAC6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(OCc2ccccc2F)n1
InChIInChI=1S/C12H9FN2O3/c13-9-4-2-1-3-8(9)7-18-11-6-14-5-10(15-11)12(16)17/h1-6H,7H2,(H,16,17)
InChIKeyRNYMDZBZDQVPEV-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.89
Rot. Bonds4

About 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid

6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid (PubChem CID 66456909) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
PubChem CID66456909
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(OCc2ccccc2F)n1
InChIInChI=1S/C12H9FN2O3/c13-9-4-2-1-3-8(9)7-18-11-6-14-5-10(15-11)12(16)17/h1-6H,7H2,(H,16,17)
InChIKeyRNYMDZBZDQVPEV-UHFFFAOYSA-N
XLogP1.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid (CID 66456909) is 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid is O=C(O)c1cncc(OCc2ccccc2F)n1.
What is the InChIKey of 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid?
The InChIKey is RNYMDZBZDQVPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-4-2-1-3-8(9)7-18-11-6-14-5-10(15-11)12(16)17/h1-6H,7H2,(H,16,17).
What are the key properties of 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid?
6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).