(1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol

C8H9Cl2FN2O — CID 131190586

IUPAC(1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2FN2O/c1-3(14)6(12)4-2-5(11)8(10)13-7(4)9/h2-3,6,14H,12H2,1H3/t3-,6-/m0/s1
InChIKeyCZKSJPBHGJFACF-DZSWIPIPSA-N
MW239.08 g/mol
LogP1.91
Rot. Bonds2

About (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol

(1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol (PubChem CID 131190586) has the molecular formula C8H9Cl2FN2O and a molecular weight of 239.08 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol
PubChem CID131190586
Molecular FormulaC8H9Cl2FN2O
Molecular Weight239.08 g/mol
Exact Mass238.01
IUPAC Name(1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2FN2O/c1-3(14)6(12)4-2-5(11)8(10)13-7(4)9/h2-3,6,14H,12H2,1H3/t3-,6-/m0/s1
InChIKeyCZKSJPBHGJFACF-DZSWIPIPSA-N
XLogP1.91
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.91
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,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-difluorophenol
CID 131057025
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
CID 55272818
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol (CID 131190586) is (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol is C[C@H](O)[C@H](N)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol?
The InChIKey is CZKSJPBHGJFACF-DZSWIPIPSA-N. The full InChI is InChI=1S/C8H9Cl2FN2O/c1-3(14)6(12)4-2-5(11)8(10)13-7(4)9/h2-3,6,14H,12H2,1H3/t3-,6-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol?
(1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol has a molecular weight of 239.08 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 131190586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).