1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol

C8H10Cl2N2O — CID 84686359

IUPAC1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-11-4-7(13)8-5(9)2-12-3-6(8)10/h2-3,7,11,13H,4H2,1H3
InChIKeyCWWACIJYDULSAT-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.64
Rot. Bonds3

About 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol

1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol (PubChem CID 84686359) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
PubChem CID84686359
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-11-4-7(13)8-5(9)2-12-3-6(8)10/h2-3,7,11,13H,4H2,1H3
InChIKeyCWWACIJYDULSAT-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 118343085
(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
CID 130667466
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
1-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanol
CID 117108221
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol
CID 117108193

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol (CID 84686359) is 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol is CNCC(O)c1c(Cl)cncc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol?
The InChIKey is CWWACIJYDULSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-11-4-7(13)8-5(9)2-12-3-6(8)10/h2-3,7,11,13H,4H2,1H3.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol?
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol has a molecular weight of 221.09 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84686359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).