2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol

C9H13ClN2O — CID 79770158

IUPAC2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-2-12(5-6-13)9-3-4-11-7-8(9)10/h3-4,7,13H,2,5-6H2,1H3
InChIKeyBALXKQKHGUUFLC-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.55
Rot. Bonds4

About 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol

2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol (PubChem CID 79770158) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
PubChem CID79770158
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-2-12(5-6-13)9-3-4-11-7-8(9)10/h3-4,7,13H,2,5-6H2,1H3
InChIKeyBALXKQKHGUUFLC-UHFFFAOYSA-N
XLogP1.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-chloro-N-ethylpyridin-4-amine
CID 133352222
3-[(3-chloro-4-pyridinyl)-ethylamino]propanethioamide
CID 79841086
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062611
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanethioamide
CID 79841085
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79841476
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 61245195
2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
CID 110434356
[3-[ethyl(propyl)amino]-4-pyridinyl]methanol
CID 105066699
[3-(diethylamino)-4-pyridinyl]methanol
CID 105066644
2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol
CID 53408836

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol (CID 79770158) is 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol is CCN(CCO)c1ccncc1Cl.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol?
The InChIKey is BALXKQKHGUUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-2-12(5-6-13)9-3-4-11-7-8(9)10/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol?
2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol has a molecular weight of 200.67 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol is sourced from PubChem (CID 79770158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).