[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C12H17N3O — CID 66415275

IUPAC[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCN(C)CCn1cc(CO)c2cccnc21
InChIInChI=1S/C12H17N3O/c1-14(2)6-7-15-8-10(9-16)11-4-3-5-13-12(11)15/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeySXYXJEFDIVODGI-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.09
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66415275) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66415275
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCN(C)CCn1cc(CO)c2cccnc21
InChIInChI=1S/C12H17N3O/c1-14(2)6-7-15-8-10(9-16)11-4-3-5-13-12(11)15/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeySXYXJEFDIVODGI-UHFFFAOYSA-N
XLogP1.09
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412006
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414895
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66415084
[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416265
(1-but-2-ynylpyrrolo[2,3-b]pyridin-3-yl)methanol
CID 66416644
methyl 4-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate
CID 66416051
[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413921
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416049
[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414288
2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)-N,N-bis[2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)ethyl]ethanamine
CID 11843178
[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 114930868

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66415275) is [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is CN(C)CCn1cc(CO)c2cccnc21.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is SXYXJEFDIVODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)6-7-15-8-10(9-16)11-4-3-5-13-12(11)15/h3-5,8,16H,6-7,9H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 219.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66415275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).