5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid

C14H12FN3O3 — CID 166402145

IUPAC5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2COc3cc(F)ccc3C2)cn1
InChIInChI=1S/C14H12FN3O3/c15-9-2-1-8-3-10(7-21-12(8)4-9)18-13-6-16-11(5-17-13)14(19)20/h1-2,4-6,10H,3,7H2,(H,17,18)(H,19,20)
InChIKeyFCMYXLHLBQPBAX-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.73
Rot. Bonds3

About 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid

5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 166402145) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid
PubChem CID166402145
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2COc3cc(F)ccc3C2)cn1
InChIInChI=1S/C14H12FN3O3/c15-9-2-1-8-3-10(7-21-12(8)4-9)18-13-6-16-11(5-17-13)14(19)20/h1-2,4-6,10H,3,7H2,(H,17,18)(H,19,20)
InChIKeyFCMYXLHLBQPBAX-UHFFFAOYSA-N
XLogP1.73
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid (CID 166402145) is 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2COc3cc(F)ccc3C2)cn1.
What is the InChIKey of 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is FCMYXLHLBQPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-9-2-1-8-3-10(7-21-12(8)4-9)18-13-6-16-11(5-17-13)14(19)20/h1-2,4-6,10H,3,7H2,(H,17,18)(H,19,20).
What are the key properties of 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid?
5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 289.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166402145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).