(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol

C8H10BrClN2O — CID 130736600

IUPAC(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol
SMILESN[C@H](CCO)c1ccnc(Cl)c1Br
InChIInChI=1S/C8H10BrClN2O/c9-7-5(6(11)2-4-13)1-3-12-8(7)10/h1,3,6,13H,2,4,11H2/t6-/m1/s1
InChIKeyBYOVTWKSFHFBRK-ZCFIWIBFSA-N
MW265.54 g/mol
LogP1.88
Rot. Bonds3

About (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol

(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol (PubChem CID 130736600) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol
PubChem CID130736600
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol
SMILESN[C@H](CCO)c1ccnc(Cl)c1Br
InChIInChI=1S/C8H10BrClN2O/c9-7-5(6(11)2-4-13)1-3-12-8(7)10/h1,3,6,13H,2,4,11H2/t6-/m1/s1
InChIKeyBYOVTWKSFHFBRK-ZCFIWIBFSA-N
XLogP1.88
TPSA59.14 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 ≤ 51.88
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

(1S)-1-(3-bromo-2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 130968986
3-amino-3-(2,3-dimethyl-4-pyridinyl)propan-1-ol
CID 84657502
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
CID 55292643
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
2-[(1S)-1-amino-3-hydroxypropyl]-5-bromo-4-chlorophenol
CID 130751961
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 84705565

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol (CID 130736600) is (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol is N[C@H](CCO)c1ccnc(Cl)c1Br.
What is the InChIKey of (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol?
The InChIKey is BYOVTWKSFHFBRK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c9-7-5(6(11)2-4-13)1-3-12-8(7)10/h1,3,6,13H,2,4,11H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol?
(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol has a molecular weight of 265.54 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 130736600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).