(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol

C8H10BrClN2O — CID 130774791

IUPAC(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H10BrClN2O/c1-4(13)7(11)8-6(10)2-5(9)3-12-8/h2-4,7,13H,11H2,1H3/t4-,7+/m1/s1
InChIKeyMMYAIBRMBZVZPE-FBCQKBJTSA-N
MW265.54 g/mol
LogP1.88
Rot. Bonds2

About (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol

(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol (PubChem CID 130774791) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol
PubChem CID130774791
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H10BrClN2O/c1-4(13)7(11)8-6(10)2-5(9)3-12-8/h2-4,7,13H,11H2,1H3/t4-,7+/m1/s1
InChIKeyMMYAIBRMBZVZPE-FBCQKBJTSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol
CID 130840689
3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
CID 79718137
2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid
CID 103584278
1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 156539974
1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
CID 172571190
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde
CID 118484940
(1R,2S)-1-amino-1-(2,5-dichloro-4-pyridinyl)propan-2-ol
CID 130701561
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
CID 130649240
(1S)-1-amino-1-(4-amino-3-bromo-5-chlorophenyl)propan-2-ol
CID 130707255
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol (CID 130774791) is (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol is C[C@@H](O)[C@H](N)c1ncc(Br)cc1Cl.
What is the InChIKey of (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol?
The InChIKey is MMYAIBRMBZVZPE-FBCQKBJTSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c1-4(13)7(11)8-6(10)2-5(9)3-12-8/h2-4,7,13H,11H2,1H3/t4-,7+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol?
(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol has a molecular weight of 265.54 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 130774791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).