4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one

C8H3F3N2O — CID 171623188

IUPAC4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESO=C1N=CC(C(F)(F)F)=C2C=CN=C12
InChIInChI=1S/C8H3F3N2O/c9-8(10,11)5-3-13-7(14)6-4(5)1-2-12-6/h1-3H
InChIKeyOMSRLVFWHFXLBI-UHFFFAOYSA-N
MW200.12 g/mol
LogP1.42
Rot. Bonds

About 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one

4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171623188) has the molecular formula C8H3F3N2O and a molecular weight of 200.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID171623188
Molecular FormulaC8H3F3N2O
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESO=C1N=CC(C(F)(F)F)=C2C=CN=C12
InChIInChI=1S/C8H3F3N2O/c9-8(10,11)5-3-13-7(14)6-4(5)1-2-12-6/h1-3H
InChIKeyOMSRLVFWHFXLBI-UHFFFAOYSA-N
XLogP1.42
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolo(2,3-c)pyridine-7-one
CID 67057869
3-(2,2,2-Trifluoroethyl)-1,4-benzodiazepin-2-one
CID 19771752
2-Fluoropyrrolo[2,3-c]pyridin-7-one
CID 174175565
Pyrrolo[2,3-c]pyridin-7-one;2,2,2-trifluoroacetic acid
CID 161093917
Hydron;pyrrolo[2,3-c]pyridin-7-one
CID 139533632

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one (CID 171623188) is 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one is O=C1N=CC(C(F)(F)F)=C2C=CN=C12.
What is the InChIKey of 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OMSRLVFWHFXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O/c9-8(10,11)5-3-13-7(14)6-4(5)1-2-12-6/h1-3H.
What are the key properties of 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one?
4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 200.12 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171623188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).