ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C10H12FN3O — CID 155733447

IUPACethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC.NC(=O)c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C8H6FN3O.C2H6/c9-4-1-5-6(7(10)13)3-12-8(5)11-2-4;1-2/h1-3H,(H2,10,13)(H,11,12);1-2H3
InChIKeyOGGVSKLTFVACKO-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.83
Rot. Bonds1

About ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 155733447) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID155733447
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Nameethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC.NC(=O)c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C8H6FN3O.C2H6/c9-4-1-5-6(7(10)13)3-12-8(5)11-2-4;1-2/h1-3H,(H2,10,13)(H,11,12);1-2H3
InChIKeyOGGVSKLTFVACKO-UHFFFAOYSA-N
XLogP1.83
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591499
2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68752286
4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68753226
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
CID 68669544
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523
5H-pyrrolo[2,3-b]pyrazine-2,7-dicarboxamide
CID 177290599
3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide
CID 67374807
5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156564782

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 155733447) is ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CC.NC(=O)c1c[nH]c2ncc(F)cc12.
What is the InChIKey of ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OGGVSKLTFVACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O.C2H6/c9-4-1-5-6(7(10)13)3-12-8(5)11-2-4;1-2/h1-3H,(H2,10,13)(H,11,12);1-2H3.
What are the key properties of ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 209.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 155733447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).