(2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol

C6H9ClN2O — CID 130608745

IUPAC(2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol
SMILESN[C@@H](CO)c1c[nH]cc1Cl
InChIInChI=1S/C6H9ClN2O/c7-5-2-9-1-4(5)6(8)3-10/h1-2,6,9-10H,3,8H2/t6-/m0/s1
InChIKeyYQBOUCFEXYIEBZ-LURJTMIESA-N
MW160.60 g/mol
LogP0.66
Rot. Bonds2

About (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol

(2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol (PubChem CID 130608745) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol
PubChem CID130608745
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name(2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol
SMILESN[C@@H](CO)c1c[nH]cc1Cl
InChIInChI=1S/C6H9ClN2O/c7-5-2-9-1-4(5)6(8)3-10/h1-2,6,9-10H,3,8H2/t6-/m0/s1
InChIKeyYQBOUCFEXYIEBZ-LURJTMIESA-N
XLogP0.66
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
CID 130738472
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
CID 84680049
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
(3R)-3-amino-3-(4-amino-1H-pyrrol-3-yl)propan-1-ol
CID 130673702
(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
CID 66515156
6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
CID 171257157
(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol
CID 130713759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol (CID 130608745) is (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol is N[C@@H](CO)c1c[nH]cc1Cl.
What is the InChIKey of (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol?
The InChIKey is YQBOUCFEXYIEBZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H9ClN2O/c7-5-2-9-1-4(5)6(8)3-10/h1-2,6,9-10H,3,8H2/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol?
(2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol has a molecular weight of 160.60 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-chloro-1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 130608745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).