2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol

C12H16ClNO4 — CID 139464296

IUPAC2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol
SMILESCOC1(c2cc(OCCO)cc(Cl)n2)CCOC1
InChIInChI=1S/C12H16ClNO4/c1-16-12(2-4-17-8-12)10-6-9(18-5-3-15)7-11(13)14-10/h6-7,15H,2-5,8H2,1H3
InChIKeyQJNYZECCYPNSFJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.37
Rot. Bonds5

About 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol

2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol (PubChem CID 139464296) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol
PubChem CID139464296
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol
SMILESCOC1(c2cc(OCCO)cc(Cl)n2)CCOC1
InChIInChI=1S/C12H16ClNO4/c1-16-12(2-4-17-8-12)10-6-9(18-5-3-15)7-11(13)14-10/h6-7,15H,2-5,8H2,1H3
InChIKeyQJNYZECCYPNSFJ-UHFFFAOYSA-N
XLogP1.37
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine
CID 139464616
3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol
CID 170351467
N-[3-[4-(2-hydroxyethoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464360
2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine
CID 163377534
2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol
CID 139501291
N-[3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-propoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139482485
6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine
CID 167040265
[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178025
[1-[4-(2-methoxyethoxy)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178026
[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol
CID 139464626
4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116745866
4-ethenyl-2-(3-methoxyoxolan-3-yl)pyridine
CID 139464706

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol (CID 139464296) is 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol is COC1(c2cc(OCCO)cc(Cl)n2)CCOC1.
What is the InChIKey of 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol?
The InChIKey is QJNYZECCYPNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-16-12(2-4-17-8-12)10-6-9(18-5-3-15)7-11(13)14-10/h6-7,15H,2-5,8H2,1H3.
What are the key properties of 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol?
2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol has a molecular weight of 273.72 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol is sourced from PubChem (CID 139464296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).