(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol

C7H9ClN2O — CID 130738472

IUPAC(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
SMILESN[C@@H](CO)c1cnccc1Cl
InChIInChI=1S/C7H9ClN2O/c8-6-1-2-10-3-5(6)7(9)4-11/h1-3,7,11H,4,9H2/t7-/m0/s1
InChIKeyHOLJTNOCKBJMEJ-ZETCQYMHSA-N
MW172.62 g/mol
LogP0.73
Rot. Bonds2

About (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol

(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol (PubChem CID 130738472) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
PubChem CID130738472
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
SMILESN[C@@H](CO)c1cnccc1Cl
InChIInChI=1S/C7H9ClN2O/c8-6-1-2-10-3-5(6)7(9)4-11/h1-3,7,11H,4,9H2/t7-/m0/s1
InChIKeyHOLJTNOCKBJMEJ-ZETCQYMHSA-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

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Related Compounds

(1R)-1-(4-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55271212
3-amino-3-(4-chloro-3-pyridinyl)propanenitrile
CID 55291758
(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
(1R)-1-(4-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97296506
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid
CID 55264048
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol (CID 130738472) is (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol is N[C@@H](CO)c1cnccc1Cl.
What is the InChIKey of (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol?
The InChIKey is HOLJTNOCKBJMEJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-6-1-2-10-3-5(6)7(9)4-11/h1-3,7,11H,4,9H2/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol?
(2R)-2-amino-2-(4-chloro-3-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 (2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol is sourced from PubChem (CID 130738472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).