(2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol

C8H10BrClN2O — CID 130878694

IUPAC(2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol
SMILESC[C@H](O)CNc1ncc(Br)cc1Cl
InChIInChI=1S/C8H10BrClN2O/c1-5(13)3-11-8-7(10)2-6(9)4-12-8/h2,4-5,13H,3H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyFDHOCQWHJQGDSX-YFKPBYRVSA-N
MW265.54 g/mol
LogP2.29
Rot. Bonds3

About (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol

(2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol (PubChem CID 130878694) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol
PubChem CID130878694
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name(2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol
SMILESC[C@H](O)CNc1ncc(Br)cc1Cl
InChIInChI=1S/C8H10BrClN2O/c1-5(13)3-11-8-7(10)2-6(9)4-12-8/h2,4-5,13H,3H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyFDHOCQWHJQGDSX-YFKPBYRVSA-N
XLogP2.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol (CID 130878694) is (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol is C[C@H](O)CNc1ncc(Br)cc1Cl.
What is the InChIKey of (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is FDHOCQWHJQGDSX-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c1-5(13)3-11-8-7(10)2-6(9)4-12-8/h2,4-5,13H,3H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol?
(2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 265.54 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 130878694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).