[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol

C9H10ClNO2 — CID 79800185

IUPAC[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCC=CCl)cn1
InChIInChI=1S/C9H10ClNO2/c10-4-1-5-13-9-3-2-8(7-12)11-6-9/h1-4,6,12H,5,7H2
InChIKeyOXWIQHYFAGQCKW-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.71
Rot. Bonds4

About [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol

[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol (PubChem CID 79800185) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol
PubChem CID79800185
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCC=CCl)cn1
InChIInChI=1S/C9H10ClNO2/c10-4-1-5-13-9-3-2-8(7-12)11-6-9/h1-4,6,12H,5,7H2
InChIKeyOXWIQHYFAGQCKW-UHFFFAOYSA-N
XLogP1.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523
1-chloro-4-(3-chloroprop-2-enoxy)benzene
CID 4518340
3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol
CID 82850321
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]methanol
CID 67291216
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564081
5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
CID 79794446
[5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methanol
CID 79800729
[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methanol
CID 79800019
[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol
CID 116616379
[5-(4-phenylbutoxy)-2-pyridinyl]methanol
CID 114333938
[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methanol
CID 102616515

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol (CID 79800185) is [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol is OCc1ccc(OCC=CCl)cn1.
What is the InChIKey of [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol?
The InChIKey is OXWIQHYFAGQCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-4-1-5-13-9-3-2-8(7-12)11-6-9/h1-4,6,12H,5,7H2.
What are the key properties of [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol?
[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol has a molecular weight of 199.64 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 79800185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).