6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one

C11H10ClF3N2O — CID 157034613

IUPAC6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCC1(C)C(=O)N(CC(F)(F)F)c2cc(Cl)ncc21
InChIInChI=1S/C11H10ClF3N2O/c1-10(2)6-4-16-8(12)3-7(6)17(9(10)18)5-11(13,14)15/h3-4H,5H2,1-2H3
InChIKeyRWROUEMRUIFMNP-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.92
Rot. Bonds1

About 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one

6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one (PubChem CID 157034613) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one
PubChem CID157034613
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCC1(C)C(=O)N(CC(F)(F)F)c2cc(Cl)ncc21
InChIInChI=1S/C11H10ClF3N2O/c1-10(2)6-4-16-8(12)3-7(6)17(9(10)18)5-11(13,14)15/h3-4H,5H2,1-2H3
InChIKeyRWROUEMRUIFMNP-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1H,2H,3H-pyrrolo(3,2-c)pyridin-2-one
CID 24729221
4-chloro-2-ethyl-1H,2H,3H-pyrrolo[3,4-c]pyridin-1-one
CID 134177162
4-chloro-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one
CID 165792966
1,3-Dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-c]pyridin-2-one
CID 101569209
1,3,3-Trimethylpyrrolo[3,2-c]pyridin-2-one
CID 21300254
6-Chloro-1-(2-trimethylsilanyl-ethoxymethyl)-1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one
CID 86723963
6-Chloro-3,3-dimethyl-1H-pyrrolo[3,2-c]pyridin-2(3H)-one
CID 86723965
6-Chloro-3,3-dimethyl-1-(2-trimethylsilanyl-ethoxymethyl)-1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one
CID 86723966
1-(2,3-Dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one
CID 75502689
(3S)-3-[(3-chloro-4-pyridinyl)methyl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97584471
(3R)-3-(4-chlorophenyl)-3-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 164642061
5-chloro-1-[(2-fluoropyridin-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
CID 57742997

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one (CID 157034613) is 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one is CC1(C)C(=O)N(CC(F)(F)F)c2cc(Cl)ncc21.
What is the InChIKey of 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is RWROUEMRUIFMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-10(2)6-4-16-8(12)3-7(6)17(9(10)18)5-11(13,14)15/h3-4H,5H2,1-2H3.
What are the key properties of 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one?
6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 278.66 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 157034613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).