5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide

C8H7ClF3N3O — CID 86675753

IUPAC5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C8H7ClF3N3O/c1-4(8(10,11)12)15-7(16)5-2-14-6(9)3-13-5/h2-4H,1H3,(H,15,16)/t4-/m1/s1
InChIKeyUDFMBWQAABJEHZ-SCSAIBSYSA-N
MW253.61 g/mol
LogP1.81
Rot. Bonds2

About 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide

5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide (PubChem CID 86675753) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide
PubChem CID86675753
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C8H7ClF3N3O/c1-4(8(10,11)12)15-7(16)5-2-14-6(9)3-13-5/h2-4H,1H3,(H,15,16)/t4-/m1/s1
InChIKeyUDFMBWQAABJEHZ-SCSAIBSYSA-N
XLogP1.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide (CID 86675753) is 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide is C[C@@H](NC(=O)c1cnc(Cl)cn1)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is UDFMBWQAABJEHZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c1-4(8(10,11)12)15-7(16)5-2-14-6(9)3-13-5/h2-4H,1H3,(H,15,16)/t4-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide?
5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 253.61 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 86675753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).