2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol

C8H11ClN2O2 — CID 84671141

IUPAC2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
SMILESCOc1cc(C(O)CN)ncc1Cl
InChIInChI=1S/C8H11ClN2O2/c1-13-8-2-6(7(12)3-10)11-4-5(8)9/h2,4,7,12H,3,10H2,1H3
InChIKeyKAYDKUFYHXIBNQ-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol

2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol (PubChem CID 84671141) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
PubChem CID84671141
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
SMILESCOc1cc(C(O)CN)ncc1Cl
InChIInChI=1S/C8H11ClN2O2/c1-13-8-2-6(7(12)3-10)11-4-5(8)9/h2,4,7,12H,3,10H2,1H3
InChIKeyKAYDKUFYHXIBNQ-UHFFFAOYSA-N
XLogP0.74
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol
CID 84658495

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol?
The IUPAC name of 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol (CID 84671141) is 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol?
The canonical SMILES for 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol is COc1cc(C(O)CN)ncc1Cl.
What is the InChIKey of 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol?
The InChIKey is KAYDKUFYHXIBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-13-8-2-6(7(12)3-10)11-4-5(8)9/h2,4,7,12H,3,10H2,1H3.
What are the key properties of 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol?
2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol has a molecular weight of 202.64 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 84671141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).