(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

C15H15ClN2O3 — CID 71763397

IUPAC(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc(-c3ccccn3)nc2Cl)C[C@@H]1O
InChIInChI=1S/C15H15ClN2O3/c16-15-9(13-7-12(20)14(8-19)21-13)4-5-11(18-15)10-3-1-2-6-17-10/h1-6,12-14,19-20H,7-8H2/t12-,13+,14+/m0/s1
InChIKeyWCEHFYNGIYKXES-BFHYXJOUSA-N
MW306.75 g/mol
LogP1.98
Rot. Bonds3

About (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71763397) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71763397
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc(-c3ccccn3)nc2Cl)C[C@@H]1O
InChIInChI=1S/C15H15ClN2O3/c16-15-9(13-7-12(20)14(8-19)21-13)4-5-11(18-15)10-3-1-2-6-17-10/h1-6,12-14,19-20H,7-8H2/t12-,13+,14+/m0/s1
InChIKeyWCEHFYNGIYKXES-BFHYXJOUSA-N
XLogP1.98
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970
(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 25034080
(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584681
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol
CID 102355154
[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
CID 135021118
(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919961

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (CID 71763397) is (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](c2ccc(-c3ccccn3)nc2Cl)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is WCEHFYNGIYKXES-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-15-9(13-7-12(20)14(8-19)21-13)4-5-11(18-15)10-3-1-2-6-17-10/h1-6,12-14,19-20H,7-8H2/t12-,13+,14+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 306.75 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71763397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).