2-amino-1-(6-chloro-2-pyridinyl)ethanol

C7H9ClN2O — CID 14578852

IUPAC2-amino-1-(6-chloro-2-pyridinyl)ethanol
SMILESNCC(O)c1cccc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3,6,11H,4,9H2
InChIKeyNMJFNAFTBJFGAK-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.73
Rot. Bonds2

About 2-amino-1-(6-chloro-2-pyridinyl)ethanol

2-amino-1-(6-chloro-2-pyridinyl)ethanol (PubChem CID 14578852) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-amino-1-(6-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(6-chloro-2-pyridinyl)ethanol
PubChem CID14578852
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-amino-1-(6-chloro-2-pyridinyl)ethanol
SMILESNCC(O)c1cccc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3,6,11H,4,9H2
InChIKeyNMJFNAFTBJFGAK-UHFFFAOYSA-N
XLogP0.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol
CID 96854674
1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol
CID 89314650
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430
2-amino-1-(6-chloro-2-pyridinyl)pentan-1-ol
CID 165348764
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
diethyl 2-(6-chloro-2-pyridinyl)propanedioate
CID 121003668
1-(6-chloro-2-pyridinyl)but-3-en-1-amine
CID 55294039
(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 159350159
(1R,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 161364147
3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
CID 55294253
1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
CID 55272790

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-chloro-2-pyridinyl)ethanol?
The IUPAC name of 2-amino-1-(6-chloro-2-pyridinyl)ethanol (CID 14578852) is 2-amino-1-(6-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-1-(6-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-amino-1-(6-chloro-2-pyridinyl)ethanol is NCC(O)c1cccc(Cl)n1.
What is the InChIKey of 2-amino-1-(6-chloro-2-pyridinyl)ethanol?
The InChIKey is NMJFNAFTBJFGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3,6,11H,4,9H2.
What are the key properties of 2-amino-1-(6-chloro-2-pyridinyl)ethanol?
2-amino-1-(6-chloro-2-pyridinyl)ethanol has a molecular weight of 172.62 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 14578852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).