2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol

C12H13ClN2O2S — CID 99837201

IUPAC2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2sccc2Cl)cn1
InChIInChI=1S/C12H13ClN2O2S/c13-10-3-6-18-11(10)8-14-9-1-2-12(15-7-9)17-5-4-16/h1-3,6-7,14,16H,4-5,8H2
InChIKeyIQTOTGPNKIFQDV-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.78
Rot. Bonds6

About 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol

2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol (PubChem CID 99837201) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol
PubChem CID99837201
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2sccc2Cl)cn1
InChIInChI=1S/C12H13ClN2O2S/c13-10-3-6-18-11(10)8-14-9-1-2-12(15-7-9)17-5-4-16/h1-3,6-7,14,16H,4-5,8H2
InChIKeyIQTOTGPNKIFQDV-UHFFFAOYSA-N
XLogP2.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol
CID 109379880
2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol
CID 109379984
4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
CID 109379854
2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol
CID 109379967
2-[[5-[(2,4-dimethylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379933
2-[[5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379842
2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379970
2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 99841271
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
2-[[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-pyridinyl]oxy]ethanol
CID 110011644
6-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43688430

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol (CID 99837201) is 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol is OCCOc1ccc(NCc2sccc2Cl)cn1.
What is the InChIKey of 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol?
The InChIKey is IQTOTGPNKIFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-10-3-6-18-11(10)8-14-9-1-2-12(15-7-9)17-5-4-16/h1-3,6-7,14,16H,4-5,8H2.
What are the key properties of 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol?
2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol has a molecular weight of 284.77 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 99837201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).