2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine

C18H15FN2O3S — CID 118862523

IUPAC2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine
SMILESO=S(O)NCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H15FN2O3S/c19-14-6-10-17(11-7-14)24-16-8-4-13(5-9-16)18-3-1-2-15(21-18)12-20-25(22)23/h1-11,20H,12H2,(H,22,23)
InChIKeyXAOYQBRSHRYOPQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.91
Rot. Bonds6

About 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine

2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine (PubChem CID 118862523) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine
PubChem CID118862523
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine
SMILESO=S(O)NCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H15FN2O3S/c19-14-6-10-17(11-7-14)24-16-8-4-13(5-9-16)18-3-1-2-15(21-18)12-20-25(22)23/h1-11,20H,12H2,(H,22,23)
InChIKeyXAOYQBRSHRYOPQ-UHFFFAOYSA-N
XLogP3.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]propanoate
CID 66806428
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
6-[4-(4-fluorophenoxy)phenyl]pyridin-2-amine
CID 67981445
[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methanol
CID 66806394
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
CID 121354458
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643700
2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]ethyl-trimethylazanium formate
CID 71566573
(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
CID 141325303
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxy-2-(propan-2-ylcarbamoylamino)propanamide
CID 67981841
6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide
CID 56943461
N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 118343436
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 57406789

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine (CID 118862523) is 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine is O=S(O)NCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine?
The InChIKey is XAOYQBRSHRYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c19-14-6-10-17(11-7-14)24-16-8-4-13(5-9-16)18-3-1-2-15(21-18)12-20-25(22)23/h1-11,20H,12H2,(H,22,23).
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine?
2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine has a molecular weight of 358.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine is sourced from PubChem (CID 118862523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).