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

C9H13FN2O — CID 55292149

IUPAC(1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol
SMILESCc1nc(F)ccc1[C@@H](N)[C@@H](C)O
InChIInChI=1S/C9H13FN2O/c1-5-7(9(11)6(2)13)3-4-8(10)12-5/h3-4,6,9,13H,11H2,1-2H3/t6-,9+/m1/s1
InChIKeyHQKMPNONWDDNFM-MUWHJKNJSA-N
MW184.21 g/mol
LogP0.91
Rot. Bonds2

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

(1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol (PubChem CID 55292149) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol
PubChem CID55292149
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol
SMILESCc1nc(F)ccc1[C@@H](N)[C@@H](C)O
InChIInChI=1S/C9H13FN2O/c1-5-7(9(11)6(2)13)3-4-8(10)12-5/h3-4,6,9,13H,11H2,1-2H3/t6-,9+/m1/s1
InChIKeyHQKMPNONWDDNFM-MUWHJKNJSA-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'}

Analyze (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-(6-fluoro-2-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55273620
(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
CID 55292437
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
2-cyclopropyl-1-(6-fluoro-2-methyl-3-pyridinyl)ethanamine
CID 55296025
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1S,2S)-1-amino-1-(2-fluoro-3-pyridinyl)propan-2-ol
CID 55292775
5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one
CID 55294913

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol (CID 55292149) is (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol is Cc1nc(F)ccc1[C@@H](N)[C@@H](C)O.
What is the InChIKey of (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol?
The InChIKey is HQKMPNONWDDNFM-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5-7(9(11)6(2)13)3-4-8(10)12-5/h3-4,6,9,13H,11H2,1-2H3/t6-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol?
(1R,2R)-1-amino-1-(6-fluoro-2-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 (1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 55292149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).