2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid

C14H9FN4O2 — CID 107793274

IUPAC2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc3nccnc3n2)cc1F
InChIInChI=1S/C14H9FN4O2/c15-10-7-8(1-2-9(10)14(20)21)18-12-4-3-11-13(19-12)17-6-5-16-11/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyWCIJNNHCYVOTMC-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.61
Rot. Bonds3

About 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid

2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid (PubChem CID 107793274) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid
PubChem CID107793274
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc3nccnc3n2)cc1F
InChIInChI=1S/C14H9FN4O2/c15-10-7-8(1-2-9(10)14(20)21)18-12-4-3-11-13(19-12)17-6-5-16-11/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyWCIJNNHCYVOTMC-UHFFFAOYSA-N
XLogP2.61
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid (CID 107793274) is 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid is O=C(O)c1ccc(Nc2ccc3nccnc3n2)cc1F.
What is the InChIKey of 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid?
The InChIKey is WCIJNNHCYVOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c15-10-7-8(1-2-9(10)14(20)21)18-12-4-3-11-13(19-12)17-6-5-16-11/h1-7H,(H,20,21)(H,17,18,19).
What are the key properties of 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid?
2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid has a molecular weight of 284.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid is sourced from PubChem (CID 107793274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).