2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol

C8H11ClN2O — CID 83876708

IUPAC2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol
SMILESCc1c(Cl)cncc1C(O)CN
InChIInChI=1S/C8H11ClN2O/c1-5-6(8(12)2-10)3-11-4-7(5)9/h3-4,8,12H,2,10H2,1H3
InChIKeyONVRYGVLUPLZPP-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.04
Rot. Bonds2

About 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol

2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol (PubChem CID 83876708) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol
PubChem CID83876708
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol
SMILESCc1c(Cl)cncc1C(O)CN
InChIInChI=1S/C8H11ClN2O/c1-5-6(8(12)2-10)3-11-4-7(5)9/h3-4,8,12H,2,10H2,1H3
InChIKeyONVRYGVLUPLZPP-UHFFFAOYSA-N
XLogP1.04
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 83886888
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
CID 84775613
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
2-amino-1-(3-chloro-6-fluoro-2-methylphenyl)ethanol
CID 84777619
2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
CID 84671959
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine
CID 134466244
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol (CID 83876708) is 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol is Cc1c(Cl)cncc1C(O)CN.
What is the InChIKey of 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol?
The InChIKey is ONVRYGVLUPLZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5-6(8(12)2-10)3-11-4-7(5)9/h3-4,8,12H,2,10H2,1H3.
What are the key properties of 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol?
2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol has a molecular weight of 186.64 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 83876708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).