(2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol

C13H15ClN2O3 — CID 161069180

IUPAC(2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESCc1cn([C@@H]2O[C@H](CO)C[C@H]2O)c2nccc(Cl)c12
InChIInChI=1S/C13H15ClN2O3/c1-7-5-16(12-11(7)9(14)2-3-15-12)13-10(18)4-8(6-17)19-13/h2-3,5,8,10,13,17-18H,4,6H2,1H3/t8-,10+,13+/m0/s1
InChIKeyOONPIHOZAZWLTN-IYYTYJHQSA-N
MW282.73 g/mol
LogP1.64
Rot. Bonds2

About (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol

(2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 161069180) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
PubChem CID161069180
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESCc1cn([C@@H]2O[C@H](CO)C[C@H]2O)c2nccc(Cl)c12
InChIInChI=1S/C13H15ClN2O3/c1-7-5-16(12-11(7)9(14)2-3-15-12)13-10(18)4-8(6-17)19-13/h2-3,5,8,10,13,17-18H,4,6H2,1H3/t8-,10+,13+/m0/s1
InChIKeyOONPIHOZAZWLTN-IYYTYJHQSA-N
XLogP1.64
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155513239
(2R,3R,5S)-2-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 138579625
(3R,5S)-2-(4-amino-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 138565768
(2R,3R,5S)-2-[4-amino-5-(4-ethylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 138579691
(Z)-3-[4-amino-7-[(3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enal
CID 89009736
1-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 123150382
5-chloro-1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14885922
(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705
(2R,5R,6S)-2-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-7-(hydroxymethyl)oxepane-3,4,5,6-tetrol
CID 89335816
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
(2R,3S,5S)-5-(hydroxymethyl)-2-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol
CID 162472566
[(2R,3R,5R)-2-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-ethyloxolan-3-yl] benzoate;[(2R,3R,5R)-5-ethyl-2-(5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl] benzoate;(2R,3R,5S)-5-(hydroxymethyl)-2-(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-ol;methane
CID 159671719

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol (CID 161069180) is (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol is Cc1cn([C@@H]2O[C@H](CO)C[C@H]2O)c2nccc(Cl)c12.
What is the InChIKey of (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OONPIHOZAZWLTN-IYYTYJHQSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7-5-16(12-11(7)9(14)2-3-15-12)13-10(18)4-8(6-17)19-13/h2-3,5,8,10,13,17-18H,4,6H2,1H3/t8-,10+,13+/m0/s1.
What are the key properties of (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
(2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 282.73 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(4-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 161069180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).