1-(3-fluoropyrazin-2-yl)propan-1-ol

C7H9FN2O — CID 156558715

IUPAC1-(3-fluoropyrazin-2-yl)propan-1-ol
SMILESCCC(O)c1nccnc1F
InChIInChI=1S/C7H9FN2O/c1-2-5(11)6-7(8)10-4-3-9-6/h3-5,11H,2H2,1H3
InChIKeyJXZDCHAZFVKXCU-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.06
Rot. Bonds2

About 1-(3-fluoropyrazin-2-yl)propan-1-ol

1-(3-fluoropyrazin-2-yl)propan-1-ol (PubChem CID 156558715) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-(3-fluoropyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluoropyrazin-2-yl)propan-1-ol
PubChem CID156558715
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-(3-fluoropyrazin-2-yl)propan-1-ol
SMILESCCC(O)c1nccnc1F
InChIInChI=1S/C7H9FN2O/c1-2-5(11)6-7(8)10-4-3-9-6/h3-5,11H,2H2,1H3
InChIKeyJXZDCHAZFVKXCU-UHFFFAOYSA-N
XLogP1.06
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrazin-2-yl)propan-1-ol?
The IUPAC name of 1-(3-fluoropyrazin-2-yl)propan-1-ol (CID 156558715) is 1-(3-fluoropyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluoropyrazin-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluoropyrazin-2-yl)propan-1-ol is CCC(O)c1nccnc1F.
What is the InChIKey of 1-(3-fluoropyrazin-2-yl)propan-1-ol?
The InChIKey is JXZDCHAZFVKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-2-5(11)6-7(8)10-4-3-9-6/h3-5,11H,2H2,1H3.
What are the key properties of 1-(3-fluoropyrazin-2-yl)propan-1-ol?
1-(3-fluoropyrazin-2-yl)propan-1-ol has a molecular weight of 156.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 156558715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).