1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol

C8H11ClN2O — CID 84660765

IUPAC1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cncc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-10-5-8(12)6-2-7(9)4-11-3-6/h2-4,8,10,12H,5H2,1H3
InChIKeyQRQXACUOMUPGEY-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.99
Rot. Bonds3

About 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol

1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol (PubChem CID 84660765) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
PubChem CID84660765
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cncc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-10-5-8(12)6-2-7(9)4-11-3-6/h2-4,8,10,12H,5H2,1H3
InChIKeyQRQXACUOMUPGEY-UHFFFAOYSA-N
XLogP0.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol
CID 168981686
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 69053107
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
3-butan-2-yl-5-chloropyridine
CID 123919361
1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol
CID 82656370

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol (CID 84660765) is 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol is CNCC(O)c1cncc(Cl)c1.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol?
The InChIKey is QRQXACUOMUPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-10-5-8(12)6-2-7(9)4-11-3-6/h2-4,8,10,12H,5H2,1H3.
What are the key properties of 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol?
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol has a molecular weight of 186.64 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84660765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).