4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride

C22H29F3N2O4 — CID 177004886

IUPAC4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride
SMILESCC(C)O.CO.F.Nc1cc(-c2cc(F)c(COc3ccc(O)cc3)c(F)c2)ccn1.[H][H]
InChIInChI=1S/C18H14F2N2O2.C3H8O.CH4O.FH.H2/c19-16-7-12(11-5-6-22-18(21)9-11)8-17(20)15(16)10-24-14-3-1-13(23)2-4-14;1-3(2)4;1-2;;/h1-9,23H,10H2,(H2,21,22);3-4H,1-2H3;2H,1H3;2*1H
InChIKeyDVUJKJYNYKDJLR-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.29
Rot. Bonds4

About 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride

4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride (PubChem CID 177004886) has the molecular formula C22H29F3N2O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride.

Molecular Properties

Compound Name4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride
PubChem CID177004886
Molecular FormulaC22H29F3N2O4
Molecular Weight442.48 g/mol
Exact Mass442.21
IUPAC Name4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride
SMILESCC(C)O.CO.F.Nc1cc(-c2cc(F)c(COc3ccc(O)cc3)c(F)c2)ccn1.[H][H]
InChIInChI=1S/C18H14F2N2O2.C3H8O.CH4O.FH.H2/c19-16-7-12(11-5-6-22-18(21)9-11)8-17(20)15(16)10-24-14-3-1-13(23)2-4-14;1-3(2)4;1-2;;/h1-9,23H,10H2,(H2,21,22);3-4H,1-2H3;2H,1H3;2*1H
InChIKeyDVUJKJYNYKDJLR-UHFFFAOYSA-N
XLogP4.29
TPSA108.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride with MolForge

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Related Compounds

4-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 104877368
4-[2-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine
CID 142578098
4-[(4-phenylphenoxy)methyl]pyridin-2-amine
CID 62466234
tert-butyl N-[(2S)-1-[4-(2-amino-4-pyridinyl)-2-fluorophenoxy]-4-methylpentan-2-yl]carbamate
CID 140845652
4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]phenol
CID 170352094
[4-(2-amino-4-pyridinyl)phenyl]methanol
CID 50976559
2-(2-amino-4-pyridinyl)-4-methylphenol
CID 136636104
[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892621
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
4-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 104877319
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride?
The IUPAC name of 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride (CID 177004886) is 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride.
What is the SMILES notation for 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride?
The canonical SMILES for 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride is CC(C)O.CO.F.Nc1cc(-c2cc(F)c(COc3ccc(O)cc3)c(F)c2)ccn1.[H][H].
What is the InChIKey of 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride?
The InChIKey is DVUJKJYNYKDJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2.C3H8O.CH4O.FH.H2/c19-16-7-12(11-5-6-22-18(21)9-11)8-17(20)15(16)10-24-14-3-1-13(23)2-4-14;1-3(2)4;1-2;;/h1-9,23H,10H2,(H2,21,22);3-4H,1-2H3;2H,1H3;2*1H.
What are the key properties of 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride?
4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride has a molecular weight of 442.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-amino-4-pyridinyl)-2,6-difluorophenyl]methoxy]phenol;methanol;molecular hydrogen;propan-2-ol;hydrofluoride is sourced from PubChem (CID 177004886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).