1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one

C10H9FN2O — CID 84772261

IUPAC1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2cc(F)cnc2[nH]1
InChIInChI=1S/C10H9FN2O/c1-6(14)2-9-4-7-3-8(11)5-12-10(7)13-9/h3-5H,2H2,1H3,(H,12,13)
InChIKeyFTVYPWLRTPAEMK-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.83
Rot. Bonds2

About 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one

1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one (PubChem CID 84772261) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one
PubChem CID84772261
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2cc(F)cnc2[nH]1
InChIInChI=1S/C10H9FN2O/c1-6(14)2-9-4-7-3-8(11)5-12-10(7)13-9/h3-5H,2H2,1H3,(H,12,13)
InChIKeyFTVYPWLRTPAEMK-UHFFFAOYSA-N
XLogP1.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine
CID 84772719
2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid
CID 84780407
5-fluoro-2-[3-methyl-1-(4-methylsulfonylphenyl)butyl]-1H-pyrrolo[2,3-b]pyridine
CID 58305245
tert-butyl 2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetate
CID 158940843
5-fluoro-2-[1-(3-fluorophenyl)-3-methylbutyl]-1H-pyrrolo[2,3-b]pyridine
CID 141298050
N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide
CID 147588258
2-[2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-bromophenyl)ethanone
CID 58564622
2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 149028439
2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
CID 84780075
1-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]propan-2-one
CID 166877103
carbon dioxide;3-methyl-1-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)butan-2-one
CID 158386161
1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one
CID 167657259

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one?
The IUPAC name of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one (CID 84772261) is 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one?
The canonical SMILES for 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one is CC(=O)Cc1cc2cc(F)cnc2[nH]1.
What is the InChIKey of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one?
The InChIKey is FTVYPWLRTPAEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6(14)2-9-4-7-3-8(11)5-12-10(7)13-9/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one?
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one has a molecular weight of 192.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one is sourced from PubChem (CID 84772261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).