2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol

C8H11ClN2O — CID 55272427

IUPAC2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
SMILESCc1cc(Cl)ncc1C(N)CO
InChIInChI=1S/C8H11ClN2O/c1-5-2-8(9)11-3-6(5)7(10)4-12/h2-3,7,12H,4,10H2,1H3
InChIKeyDHBNSFZXPBZAGU-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.04
Rot. Bonds2

About 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol

2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol (PubChem CID 55272427) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
PubChem CID55272427
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
SMILESCc1cc(Cl)ncc1C(N)CO
InChIInChI=1S/C8H11ClN2O/c1-5-2-8(9)11-3-6(5)7(10)4-12/h2-3,7,12H,4,10H2,1H3
InChIKeyDHBNSFZXPBZAGU-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

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
(2R)-2-amino-2-(5-chloro-6-methoxy-3-pyridinyl)ethanol
CID 131056244
2-amino-2-(5-chloro-6-methoxy-3-pyridinyl)ethanol
CID 83881341
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2-amino-2-(5-chloropyrazin-2-yl)ethanol
CID 83827335
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol (CID 55272427) is 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol is Cc1cc(Cl)ncc1C(N)CO.
What is the InChIKey of 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol?
The InChIKey is DHBNSFZXPBZAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5-2-8(9)11-3-6(5)7(10)4-12/h2-3,7,12H,4,10H2,1H3.
What are the key properties of 2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol?
2-amino-2-(6-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-2-(6-chloro-4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 55272427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).