(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol

C9H12N2O — CID 77230994

IUPAC(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol
SMILESCN1CCc2c(CO)ccnc21
InChIInChI=1S/C9H12N2O/c1-11-5-3-8-7(6-12)2-4-10-9(8)11/h2,4,12H,3,5-6H2,1H3
InChIKeyPSSGSAUKDSKTOC-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.57
Rot. Bonds1

About (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol

(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol (PubChem CID 77230994) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol.

Molecular Properties

Compound Name(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol
PubChem CID77230994
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol
SMILESCN1CCc2c(CO)ccnc21
InChIInChI=1S/C9H12N2O/c1-11-5-3-8-7(6-12)2-4-10-9(8)11/h2,4,12H,3,5-6H2,1H3
InChIKeyPSSGSAUKDSKTOC-UHFFFAOYSA-N
XLogP0.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 118992161
3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione
CID 161114732
1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 166017075
(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol
CID 105382896
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
4-ethoxy-1-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 23269827
[3-fluoro-2-(1,4-thiazepan-4-yl)-4-pyridinyl]methanol
CID 105382959
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105383174
3H-pyrrolo[3,2-b]pyridin-7-ylmethanol
CID 167647436
[2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61421598
(1-propan-2-yl-2,3-dihydroindol-4-yl)methanol
CID 115114810

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol?
The IUPAC name of (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol (CID 77230994) is (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol.
What is the SMILES notation for (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol?
The canonical SMILES for (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol is CN1CCc2c(CO)ccnc21.
What is the InChIKey of (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol?
The InChIKey is PSSGSAUKDSKTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-5-3-8-7(6-12)2-4-10-9(8)11/h2,4,12H,3,5-6H2,1H3.
What are the key properties of (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol?
(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol has a molecular weight of 164.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol is sourced from PubChem (CID 77230994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).