1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

C9H10ClFN4O — CID 156766270

IUPAC1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)CN1c1cncc(Cl)n1
InChIInChI=1S/C9H10ClFN4O/c10-7-2-13-3-8(14-7)15-4-5(11)1-6(15)9(12)16/h2-3,5-6H,1,4H2,(H2,12,16)
InChIKeyWTNJMWDOYOGHNO-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.53
Rot. Bonds2

About 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 156766270) has the molecular formula C9H10ClFN4O and a molecular weight of 244.66 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID156766270
Molecular FormulaC9H10ClFN4O
Molecular Weight244.66 g/mol
Exact Mass244.05
IUPAC Name1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)CN1c1cncc(Cl)n1
InChIInChI=1S/C9H10ClFN4O/c10-7-2-13-3-8(14-7)15-4-5(11)1-6(15)9(12)16/h2-3,5-6H,1,4H2,(H2,12,16)
InChIKeyWTNJMWDOYOGHNO-UHFFFAOYSA-N
XLogP0.53
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (CID 156766270) is 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is NC(=O)C1CC(F)CN1c1cncc(Cl)n1.
What is the InChIKey of 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is WTNJMWDOYOGHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN4O/c10-7-2-13-3-8(14-7)15-4-5(11)1-6(15)9(12)16/h2-3,5-6H,1,4H2,(H2,12,16).
What are the key properties of 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 244.66 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 156766270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).