(2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol

C8H10BrClN2O — CID 130624573

IUPAC(2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccc(Br)nc1Cl
InChIInChI=1S/C8H10BrClN2O/c1-8(11,4-13)5-2-3-6(9)12-7(5)10/h2-3,13H,4,11H2,1H3/t8-/m1/s1
InChIKeyAWZVURYCWRZYBG-MRVPVSSYSA-N
MW265.54 g/mol
LogP1.66
Rot. Bonds2

About (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol

(2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol (PubChem CID 130624573) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol
PubChem CID130624573
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name(2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccc(Br)nc1Cl
InChIInChI=1S/C8H10BrClN2O/c1-8(11,4-13)5-2-3-6(9)12-7(5)10/h2-3,13H,4,11H2,1H3/t8-/m1/s1
InChIKeyAWZVURYCWRZYBG-MRVPVSSYSA-N
XLogP1.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 51.66
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

2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867
5-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-chloro-1H-pyridin-2-one
CID 131118658
2-(2,6-dichloro-3-pyridinyl)propan-2-amine
CID 130297904
(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
CID 130690062
2-amino-2-(2-fluoro-3-pyridinyl)propan-1-ol
CID 55282307
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol
CID 86730942
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627
5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol
CID 130001728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol (CID 130624573) is (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol is C[C@@](N)(CO)c1ccc(Br)nc1Cl.
What is the InChIKey of (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol?
The InChIKey is AWZVURYCWRZYBG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c1-8(11,4-13)5-2-3-6(9)12-7(5)10/h2-3,13H,4,11H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol?
(2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol has a molecular weight of 265.54 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-bromo-2-chloro-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 130624573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).