7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one

C7H4F3N3O — CID 171099043

IUPAC7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1ncc2ccn(C(F)(F)F)c2[nH]1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)13-2-1-4-3-11-6(14)12-5(4)13/h1-3H,(H,11,12,14)
InChIKeyRQUKNMAWIJLBTN-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.20
Rot. Bonds

About 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one

7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 171099043) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID171099043
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1ncc2ccn(C(F)(F)F)c2[nH]1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)13-2-1-4-3-11-6(14)12-5(4)13/h1-3H,(H,11,12,14)
InChIKeyRQUKNMAWIJLBTN-UHFFFAOYSA-N
XLogP1.20
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one (CID 171099043) is 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one is O=c1ncc2ccn(C(F)(F)F)c2[nH]1.
What is the InChIKey of 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is RQUKNMAWIJLBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)13-2-1-4-3-11-6(14)12-5(4)13/h1-3H,(H,11,12,14).
What are the key properties of 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one?
7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 203.12 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 171099043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).