3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid

C10H12FN3O3 — CID 167857237

IUPAC3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCOC(CF)C1
InChIInChI=1S/C10H12FN3O3/c11-5-7-6-14(3-4-17-7)9-8(10(15)16)12-1-2-13-9/h1-2,7H,3-6H2,(H,15,16)
InChIKeyVCSZSERARRZENJ-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.35
Rot. Bonds3

About 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid

3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 167857237) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID167857237
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCOC(CF)C1
InChIInChI=1S/C10H12FN3O3/c11-5-7-6-14(3-4-17-7)9-8(10(15)16)12-1-2-13-9/h1-2,7H,3-6H2,(H,15,16)
InChIKeyVCSZSERARRZENJ-UHFFFAOYSA-N
XLogP0.35
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid (CID 167857237) is 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CCOC(CF)C1.
What is the InChIKey of 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is VCSZSERARRZENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-5-7-6-14(3-4-17-7)9-8(10(15)16)12-1-2-13-9/h1-2,7H,3-6H2,(H,15,16).
What are the key properties of 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 241.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)morpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167857237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).