4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid

C13H12FN3O3 — CID 107793320

IUPAC4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid
SMILESCCOc1cncc(Nc2ccc(C(=O)O)c(F)c2)n1
InChIInChI=1S/C13H12FN3O3/c1-2-20-12-7-15-6-11(17-12)16-8-3-4-9(13(18)19)10(14)5-8/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyAEIPQGOBKXDRRJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.46
Rot. Bonds5

About 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid

4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid (PubChem CID 107793320) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid
PubChem CID107793320
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid
SMILESCCOc1cncc(Nc2ccc(C(=O)O)c(F)c2)n1
InChIInChI=1S/C13H12FN3O3/c1-2-20-12-7-15-6-11(17-12)16-8-3-4-9(13(18)19)10(14)5-8/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyAEIPQGOBKXDRRJ-UHFFFAOYSA-N
XLogP2.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-2-fluorobenzoic acid
CID 107793279
N-[4-(2-chloroethyl)phenyl]-6-ethoxypyrazin-2-amine
CID 65027902
4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-fluorobenzoic acid
CID 107793441
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-fluorobenzoic acid
CID 107793322
2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid
CID 107793274
2-chloro-5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66333309
4-[(4,6-dimethylpyrimidin-2-yl)amino]-2-fluorobenzoic acid
CID 114002149
4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
CID 114335396
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
2-fluoro-4-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 107793335
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid (CID 107793320) is 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid is CCOc1cncc(Nc2ccc(C(=O)O)c(F)c2)n1.
What is the InChIKey of 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid?
The InChIKey is AEIPQGOBKXDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-2-20-12-7-15-6-11(17-12)16-8-3-4-9(13(18)19)10(14)5-8/h3-7H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid?
4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid has a molecular weight of 277.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 107793320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).