5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine

C11H11F2N3O — CID 168936172

IUPAC5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine
SMILESCOc1ncc(F)cc1[C@H](C)n1ccc(F)n1
InChIInChI=1S/C11H11F2N3O/c1-7(16-4-3-10(13)15-16)9-5-8(12)6-14-11(9)17-2/h3-7H,1-2H3/t7-/m0/s1
InChIKeyQTMSTZSBLYDPHE-ZETCQYMHSA-N
MW239.23 g/mol
LogP2.17
Rot. Bonds3

About 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine

5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine (PubChem CID 168936172) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine
PubChem CID168936172
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine
SMILESCOc1ncc(F)cc1[C@H](C)n1ccc(F)n1
InChIInChI=1S/C11H11F2N3O/c1-7(16-4-3-10(13)15-16)9-5-8(12)6-14-11(9)17-2/h3-7H,1-2H3/t7-/m0/s1
InChIKeyQTMSTZSBLYDPHE-ZETCQYMHSA-N
XLogP2.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine
CID 168935703
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid
CID 168936037
[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl] acetate
CID 168936041
1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl diphenyl phosphate
CID 168936093
3-chloro-5-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-1H-pyridazin-6-one
CID 175914923
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
CID 147248052
5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine
CID 124675029
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
5-fluoro-2-methoxy-3-pyridin-4-ylpyridine
CID 46315714
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 168935844
1-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazole
CID 155126768

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine?
The IUPAC name of 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine (CID 168936172) is 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine.
What is the SMILES notation for 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine?
The canonical SMILES for 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine is COc1ncc(F)cc1[C@H](C)n1ccc(F)n1.
What is the InChIKey of 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine?
The InChIKey is QTMSTZSBLYDPHE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-7(16-4-3-10(13)15-16)9-5-8(12)6-14-11(9)17-2/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine?
5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine has a molecular weight of 239.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine is sourced from PubChem (CID 168936172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).