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

C11H14ClNO3 — CID 71762520

IUPAC(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(Cl)n1
InChIInChI=1S/C11H14ClNO3/c1-6-2-3-7(11(12)13-6)9-4-8(15)10(5-14)16-9/h2-3,8-10,14-15H,4-5H2,1H3/t8-,9+,10+/m0/s1
InChIKeyDDBBUBHSZZDAPA-IVZWLZJFSA-N
MW243.69 g/mol
LogP1.23
Rot. Bonds2

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

(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71762520) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71762520
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(Cl)n1
InChIInChI=1S/C11H14ClNO3/c1-6-2-3-7(11(12)13-6)9-4-8(15)10(5-14)16-9/h2-3,8-10,14-15H,4-5H2,1H3/t8-,9+,10+/m0/s1
InChIKeyDDBBUBHSZZDAPA-IVZWLZJFSA-N
XLogP1.23
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71763397
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
CID 102506290
(2R,3S)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-ol
CID 87769450
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
CID 24773387
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 124679420
(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 54757675
(2R,3R,5R)-2-(hydroxymethyl)-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]oxolan-3-ol
CID 11065802

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (CID 71762520) is (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is Cc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(Cl)n1.
What is the InChIKey of (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is DDBBUBHSZZDAPA-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6-2-3-7(11(12)13-6)9-4-8(15)10(5-14)16-9/h2-3,8-10,14-15H,4-5H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 243.69 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71762520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).