3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine

C17H22FNO2 — CID 143418429

IUPAC3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
SMILESCO[C@H](c1ccc(C2=CC=C(C)N(O)C2)cc1)[C@H](C)CF
InChIInChI=1S/C17H22FNO2/c1-12(10-18)17(21-3)15-8-6-14(7-9-15)16-5-4-13(2)19(20)11-16/h4-9,12,17,20H,10-11H2,1-3H3/t12-,17+/m1/s1
InChIKeyOLEIFGYBIQTSOI-PXAZEXFGSA-N
MW291.37 g/mol
LogP3.97
Rot. Bonds5

About 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine

3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine (PubChem CID 143418429) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine.

Molecular Properties

Compound Name3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
PubChem CID143418429
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
SMILESCO[C@H](c1ccc(C2=CC=C(C)N(O)C2)cc1)[C@H](C)CF
InChIInChI=1S/C17H22FNO2/c1-12(10-18)17(21-3)15-8-6-14(7-9-15)16-5-4-13(2)19(20)11-16/h4-9,12,17,20H,10-11H2,1-3H3/t12-,17+/m1/s1
InChIKeyOLEIFGYBIQTSOI-PXAZEXFGSA-N
XLogP3.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine with MolForge

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Related Compounds

4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 71049797
3-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
CID 71206868
N-[(3S,5R)-5-(4-fluorophenyl)-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-5-methoxypent-1-en-2-yl]hydroxylamine
CID 88253140
4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1-hydroxyazepine
CID 129313203
(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine
CID 142457099
N-[(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]octa-2,4-dien-2-yl]hydroxylamine
CID 142457107
4-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 145467506
3-fluoro-1-methoxy-1-[4-[1-methoxy-5-(methoxymethyl)-1H-pyrrol-1-ium-2-yl]phenyl]propan-2-amine
CID 145467716
1-[(4-Fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline
CID 174478810
N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
CID 134925778
N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine
CID 134926495
4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
CID 134926496

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
The IUPAC name of 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine (CID 143418429) is 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine.
What is the SMILES notation for 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
The canonical SMILES for 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine is CO[C@H](c1ccc(C2=CC=C(C)N(O)C2)cc1)[C@H](C)CF.
What is the InChIKey of 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
The InChIKey is OLEIFGYBIQTSOI-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-12(10-18)17(21-3)15-8-6-14(7-9-15)16-5-4-13(2)19(20)11-16/h4-9,12,17,20H,10-11H2,1-3H3/t12-,17+/m1/s1.
What are the key properties of 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine?
3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine has a molecular weight of 291.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine is sourced from PubChem (CID 143418429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).