2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine

C11H7ClFN5 — CID 123957732

IUPAC2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine
SMILESNc1cc(-c2c[nH]c3ncc(Cl)nc23)ncc1F
InChIInChI=1S/C11H7ClFN5/c12-9-4-17-11-10(18-9)5(2-16-11)8-1-7(14)6(13)3-15-8/h1-4H,(H2,14,15)(H,16,17)
InChIKeyBJJHWPLAADUYMD-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.39
Rot. Bonds1

About 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine

2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine (PubChem CID 123957732) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine
PubChem CID123957732
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC Name2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine
SMILESNc1cc(-c2c[nH]c3ncc(Cl)nc23)ncc1F
InChIInChI=1S/C11H7ClFN5/c12-9-4-17-11-10(18-9)5(2-16-11)8-1-7(14)6(13)3-15-8/h1-4H,(H2,14,15)(H,16,17)
InChIKeyBJJHWPLAADUYMD-UHFFFAOYSA-N
XLogP2.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine?
The IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine (CID 123957732) is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine?
The canonical SMILES for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine is Nc1cc(-c2c[nH]c3ncc(Cl)nc23)ncc1F.
What is the InChIKey of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine?
The InChIKey is BJJHWPLAADUYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-9-4-17-11-10(18-9)5(2-16-11)8-1-7(14)6(13)3-15-8/h1-4H,(H2,14,15)(H,16,17).
What are the key properties of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine?
2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine has a molecular weight of 263.66 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyridin-4-amine is sourced from PubChem (CID 123957732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).