3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol

C9H12ClNO3 — CID 61255295

IUPAC3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol
SMILESOCCCOc1ccc(Cl)c(CO)n1
InChIInChI=1S/C9H12ClNO3/c10-7-2-3-9(11-8(7)6-13)14-5-1-4-12/h2-3,12-13H,1,4-6H2
InChIKeyPTYWZCQHCYWDNU-UHFFFAOYSA-N
MW217.65 g/mol
LogP0.99
Rot. Bonds5

About 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol

3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol (PubChem CID 61255295) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol
PubChem CID61255295
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol
SMILESOCCCOc1ccc(Cl)c(CO)n1
InChIInChI=1S/C9H12ClNO3/c10-7-2-3-9(11-8(7)6-13)14-5-1-4-12/h2-3,12-13H,1,4-6H2
InChIKeyPTYWZCQHCYWDNU-UHFFFAOYSA-N
XLogP0.99
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]methanol
CID 103403961
[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol
CID 61258005
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methanol
CID 65126484
[3-chloro-6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256973
[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
CID 61257718
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
CID 103405839
N-[(3-chloro-6-octoxy-2-pyridinyl)methyl]ethanamine
CID 63488462
3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62295963
[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
CID 61257343
[3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol
CID 61257735

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol (CID 61255295) is 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol is OCCCOc1ccc(Cl)c(CO)n1.
What is the InChIKey of 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol?
The InChIKey is PTYWZCQHCYWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c10-7-2-3-9(11-8(7)6-13)14-5-1-4-12/h2-3,12-13H,1,4-6H2.
What are the key properties of 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol?
3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol has a molecular weight of 217.65 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 61255295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).