[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol

C12H18ClNO4 — CID 103403961

IUPAC[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
SMILESCOCCOCCCOc1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H18ClNO4/c1-16-7-8-17-5-2-6-18-12-4-3-10(13)11(9-15)14-12/h3-4,15H,2,5-9H2,1H3
InChIKeyQPYFJTYIVYZJHH-UHFFFAOYSA-N
MW275.73 g/mol
LogP1.66
Rot. Bonds9

About [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol

[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol (PubChem CID 103403961) has the molecular formula C12H18ClNO4 and a molecular weight of 275.73 g/mol. Its IUPAC name is [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
PubChem CID103403961
Molecular FormulaC12H18ClNO4
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
SMILESCOCCOCCCOc1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H18ClNO4/c1-16-7-8-17-5-2-6-18-12-4-3-10(13)11(9-15)14-12/h3-4,15H,2,5-9H2,1H3
InChIKeyQPYFJTYIVYZJHH-UHFFFAOYSA-N
XLogP1.66
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
CID 103405839
3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol
CID 61255295
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
N-[[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291624
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288773
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
CID 103401537
[3-chloro-6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256973
[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 63684959
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376
[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564147

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol (CID 103403961) is [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol is COCCOCCCOc1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol?
The InChIKey is QPYFJTYIVYZJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4/c1-16-7-8-17-5-2-6-18-12-4-3-10(13)11(9-15)14-12/h3-4,15H,2,5-9H2,1H3.
What are the key properties of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol?
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol has a molecular weight of 275.73 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 103403961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).