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

C9H13FN2O — CID 55292212

IUPAC(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cc([C@H](N)[C@H](C)O)cnc1F
InChIInChI=1S/C9H13FN2O/c1-5-3-7(4-12-9(5)10)8(11)6(2)13/h3-4,6,8,13H,11H2,1-2H3/t6-,8+/m0/s1
InChIKeyHCSGMGRLIXVDIO-POYBYMJQSA-N
MW184.21 g/mol
LogP0.91
Rot. Bonds2

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

(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol (PubChem CID 55292212) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
PubChem CID55292212
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cc([C@H](N)[C@H](C)O)cnc1F
InChIInChI=1S/C9H13FN2O/c1-5-3-7(4-12-9(5)10)8(11)6(2)13/h3-4,6,8,13H,11H2,1-2H3/t6-,8+/m0/s1
InChIKeyHCSGMGRLIXVDIO-POYBYMJQSA-N
XLogP0.91
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.91
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

1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
CID 55270474
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55274137
(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
CID 146531706
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
CID 55272910
3-(6-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869933
3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
CID 171861738
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
CID 130673428
(1R)-1-(5,6-difluoro-3-pyridinyl)-2-methylpropan-1-amine
CID 130623639
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 130706086
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol (CID 55292212) is (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol is Cc1cc([C@H](N)[C@H](C)O)cnc1F.
What is the InChIKey of (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol?
The InChIKey is HCSGMGRLIXVDIO-POYBYMJQSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5-3-7(4-12-9(5)10)8(11)6(2)13/h3-4,6,8,13H,11H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol?
(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 55292212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).