1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol

C11H14FN3O — CID 84788959

IUPAC1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc2cc(F)cnc2n1C
InChIInChI=1S/C11H14FN3O/c1-13-6-10(16)9-4-7-3-8(12)5-14-11(7)15(9)2/h3-5,10,13,16H,6H2,1-2H3
InChIKeyOFNMTDRVEKUMIC-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.97
Rot. Bonds3

About 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol

1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol (PubChem CID 84788959) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol
PubChem CID84788959
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc2cc(F)cnc2n1C
InChIInChI=1S/C11H14FN3O/c1-13-6-10(16)9-4-7-3-8(12)5-14-11(7)15(9)2/h3-5,10,13,16H,6H2,1-2H3
InChIKeyOFNMTDRVEKUMIC-UHFFFAOYSA-N
XLogP0.97
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
CID 84780075
5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 169005444
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
1-(1,5-dimethylimidazol-4-yl)-2-(methylamino)ethanol
CID 84653517
2-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylethanamine
CID 84779549
2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol
CID 117308336
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
1-(8-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-2-(methylamino)ethanol
CID 84688240
5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine
CID 174031450

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol (CID 84788959) is 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol is CNCC(O)c1cc2cc(F)cnc2n1C.
What is the InChIKey of 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol?
The InChIKey is OFNMTDRVEKUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-13-6-10(16)9-4-7-3-8(12)5-14-11(7)15(9)2/h3-5,10,13,16H,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol?
1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol has a molecular weight of 223.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 84788959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).