6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid

C9H11F2N3O3 — CID 107480405

IUPAC6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H11F2N3O3/c10-7(11)5-14(1-2-15)8-4-12-3-6(13-8)9(16)17/h3-4,7,15H,1-2,5H2,(H,16,17)
InChIKeyIHSTUXWMUYZFSS-UHFFFAOYSA-N
MW247.20 g/mol
LogP0.24
Rot. Bonds6

About 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid

6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 107480405) has the molecular formula C9H11F2N3O3 and a molecular weight of 247.20 g/mol. Its IUPAC name is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
PubChem CID107480405
Molecular FormulaC9H11F2N3O3
Molecular Weight247.20 g/mol
Exact Mass247.08
IUPAC Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H11F2N3O3/c10-7(11)5-14(1-2-15)8-4-12-3-6(13-8)9(16)17/h3-4,7,15H,1-2,5H2,(H,16,17)
InChIKeyIHSTUXWMUYZFSS-UHFFFAOYSA-N
XLogP0.24
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 66450502
6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 66456627
6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
CID 102994014
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063
pyrazine-2,6-dicarboxylic acid
CID 11601391
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136858019
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 82950912
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,5-difluorobenzoic acid
CID 107480412
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
CID 107480460

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid (CID 107480405) is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N(CCO)CC(F)F)n1.
What is the InChIKey of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is IHSTUXWMUYZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3/c10-7(11)5-14(1-2-15)8-4-12-3-6(13-8)9(16)17/h3-4,7,15H,1-2,5H2,(H,16,17).
What are the key properties of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 247.20 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107480405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).