2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol

C10H13N3O — CID 76847430

IUPAC2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
SMILESCNC(CO)c1cnc2cc[nH]c2c1
InChIInChI=1S/C10H13N3O/c1-11-10(6-14)7-4-9-8(13-5-7)2-3-12-9/h2-5,10-12,14H,6H2,1H3
InChIKeyTYAGECINKRGDMY-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.82
Rot. Bonds3

About 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol

2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol (PubChem CID 76847430) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
PubChem CID76847430
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
SMILESCNC(CO)c1cnc2cc[nH]c2c1
InChIInChI=1S/C10H13N3O/c1-11-10(6-14)7-4-9-8(13-5-7)2-3-12-9/h2-5,10-12,14H,6H2,1H3
InChIKeyTYAGECINKRGDMY-UHFFFAOYSA-N
XLogP0.82
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
CID 84771242
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 89389519
N-methyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanamine
CID 84766983
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
CID 142447462
1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol?
The IUPAC name of 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol (CID 76847430) is 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol?
The canonical SMILES for 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol is CNC(CO)c1cnc2cc[nH]c2c1.
What is the InChIKey of 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol?
The InChIKey is TYAGECINKRGDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-11-10(6-14)7-4-9-8(13-5-7)2-3-12-9/h2-5,10-12,14H,6H2,1H3.
What are the key properties of 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol?
2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol is sourced from PubChem (CID 76847430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).