2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one

C10H5F5N2O — CID 114037995

IUPAC2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESO=C(c1c[nH]c2ncccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F5N2O/c11-9(12,10(13,14)15)7(18)6-4-17-8-5(6)2-1-3-16-8/h1-4H,(H,16,17)
InChIKeyLRHBVJFTTXUAJT-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.94
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (PubChem CID 114037995) has the molecular formula C10H5F5N2O and a molecular weight of 264.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
PubChem CID114037995
Molecular FormulaC10H5F5N2O
Molecular Weight264.15 g/mol
Exact Mass264.03
IUPAC Name2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESO=C(c1c[nH]c2ncccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F5N2O/c11-9(12,10(13,14)15)7(18)6-4-17-8-5(6)2-1-3-16-8/h1-4H,(H,16,17)
InChIKeyLRHBVJFTTXUAJT-UHFFFAOYSA-N
XLogP2.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (CID 114037995) is 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is O=C(c1c[nH]c2ncccc12)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The InChIKey is LRHBVJFTTXUAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O/c11-9(12,10(13,14)15)7(18)6-4-17-8-5(6)2-1-3-16-8/h1-4H,(H,16,17).
What are the key properties of 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one has a molecular weight of 264.15 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 114037995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).