(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol

C14H15FN2O — CID 71050048

IUPAC(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
SMILESN[C@H](CF)[C@H](O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C14H15FN2O/c15-8-13(16)14(18)11-5-3-10(4-6-11)12-2-1-7-17-9-12/h1-7,9,13-14,18H,8,16H2/t13-,14-/m1/s1
InChIKeyKSRSDXOYPQJYRS-ZIAGYGMSSA-N
MW246.29 g/mol
LogP2.08
Rot. Bonds4

About (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol

(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol (PubChem CID 71050048) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
PubChem CID71050048
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
SMILESN[C@H](CF)[C@H](O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C14H15FN2O/c15-8-13(16)14(18)11-5-3-10(4-6-11)12-2-1-7-17-9-12/h1-7,9,13-14,18H,8,16H2/t13-,14-/m1/s1
InChIKeyKSRSDXOYPQJYRS-ZIAGYGMSSA-N
XLogP2.08
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
CID 66511645
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol
CID 59446295
2-chloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]acetamide
CID 58631163
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide
CID 23570546
3-azulen-6-ylpyridine
CID 86232079
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
cyclopenta[c]azepine
CID 638010
(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
CID 124657692
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol (CID 71050048) is (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol is N[C@H](CF)[C@H](O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol?
The InChIKey is KSRSDXOYPQJYRS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-8-13(16)14(18)11-5-3-10(4-6-11)12-2-1-7-17-9-12/h1-7,9,13-14,18H,8,16H2/t13-,14-/m1/s1.
What are the key properties of (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol?
(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol has a molecular weight of 246.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol is sourced from PubChem (CID 71050048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).