6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid

C14H10FN3O2 — CID 166105311

IUPAC6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid
SMILESCn1c(-c2ccc(F)cc2)cc2ncc(C(=O)O)nc21
InChIInChI=1S/C14H10FN3O2/c1-18-12(8-2-4-9(15)5-3-8)6-10-13(18)17-11(7-16-10)14(19)20/h2-7H,1H3,(H,19,20)
InChIKeySWUTWKJLWDFANQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.47
Rot. Bonds2

About 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid

6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid (PubChem CID 166105311) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid
PubChem CID166105311
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid
SMILESCn1c(-c2ccc(F)cc2)cc2ncc(C(=O)O)nc21
InChIInChI=1S/C14H10FN3O2/c1-18-12(8-2-4-9(15)5-3-8)6-10-13(18)17-11(7-16-10)14(19)20/h2-7H,1H3,(H,19,20)
InChIKeySWUTWKJLWDFANQ-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid (CID 166105311) is 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid is Cn1c(-c2ccc(F)cc2)cc2ncc(C(=O)O)nc21.
What is the InChIKey of 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid?
The InChIKey is SWUTWKJLWDFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-18-12(8-2-4-9(15)5-3-8)6-10-13(18)17-11(7-16-10)14(19)20/h2-7H,1H3,(H,19,20).
What are the key properties of 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid?
6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid is sourced from PubChem (CID 166105311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).