3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid

C13H12FN3O2 — CID 62709932

IUPAC3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCCc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)5-6-16-12-11(13(18)19)15-7-8-17-12/h1-4,7-8H,5-6H2,(H,16,17)(H,18,19)
InChIKeyGVKUJNLPRQSUTD-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.97
Rot. Bonds5

About 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid

3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 62709932) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID62709932
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCCc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)5-6-16-12-11(13(18)19)15-7-8-17-12/h1-4,7-8H,5-6H2,(H,16,17)(H,18,19)
InChIKeyGVKUJNLPRQSUTD-UHFFFAOYSA-N
XLogP1.97
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carbothioamide
CID 55102991
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
3-[2-(4-fluorophenyl)ethylamino]-1H-pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 162324418
3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
CID 63260397
3-(4-fluoroanilino)pyrazine-2-carboxylic acid
CID 117102487
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461
3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid
CID 115408711
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
3-[(4-nitrophenyl)methylamino]pyrazine-2-carboxylic acid
CID 62711144
3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
CID 62710303

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid (CID 62709932) is 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is GVKUJNLPRQSUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)5-6-16-12-11(13(18)19)15-7-8-17-12/h1-4,7-8H,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid?
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).