[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol

C13H18BrNO4 — CID 139464626

IUPAC[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol
SMILESCOCCOc1cc(Br)nc(C2(CO)CCOC2)c1
InChIInChI=1S/C13H18BrNO4/c1-17-4-5-19-10-6-11(15-12(14)7-10)13(8-16)2-3-18-9-13/h6-7,16H,2-5,8-9H2,1H3
InChIKeyDILPYHNHEPSSEB-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.52
Rot. Bonds6

About [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol

[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol (PubChem CID 139464626) has the molecular formula C13H18BrNO4 and a molecular weight of 332.19 g/mol. Its IUPAC name is [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol
PubChem CID139464626
Molecular FormulaC13H18BrNO4
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol
SMILESCOCCOc1cc(Br)nc(C2(CO)CCOC2)c1
InChIInChI=1S/C13H18BrNO4/c1-17-4-5-19-10-6-11(15-12(14)7-10)13(8-16)2-3-18-9-13/h6-7,16H,2-5,8-9H2,1H3
InChIKeyDILPYHNHEPSSEB-UHFFFAOYSA-N
XLogP1.52
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol
CID 139464296
[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol
CID 118948736
[(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
CID 139464568
[1-[4-(2-methoxyethoxy)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178026
[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178025
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol
CID 170577117
[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
CID 66060087
3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
[3-(4-methylthiophen-2-yl)oxolan-3-yl]methanol
CID 175425762
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748

Frequently Asked Questions

What is the IUPAC name of [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol (CID 139464626) is [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol is COCCOc1cc(Br)nc(C2(CO)CCOC2)c1.
What is the InChIKey of [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol?
The InChIKey is DILPYHNHEPSSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4/c1-17-4-5-19-10-6-11(15-12(14)7-10)13(8-16)2-3-18-9-13/h6-7,16H,2-5,8-9H2,1H3.
What are the key properties of [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol?
[3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol has a molecular weight of 332.19 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-bromo-4-(2-methoxyethoxy)-2-pyridinyl]oxolan-3-yl]methanol is sourced from PubChem (CID 139464626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).