5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid

C14H14F2NO3P3 — CID 142891106

IUPAC5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NCc2c(P)c(F)c(F)c(P)c2P)ccc1O
InChIInChI=1S/C14H14F2NO3P3/c15-9-10(16)13(23)12(22)7(11(9)21)4-17-5-1-2-8(18)6(3-5)14(19)20/h1-3,17-18H,4,21-23H2,(H,19,20)
InChIKeyUBFLXCBFAPANKS-UHFFFAOYSA-N
MW375.19 g/mol
LogP1.48
Rot. Bonds4

About 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid

5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid (PubChem CID 142891106) has the molecular formula C14H14F2NO3P3 and a molecular weight of 375.19 g/mol. Its IUPAC name is 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid
PubChem CID142891106
Molecular FormulaC14H14F2NO3P3
Molecular Weight375.19 g/mol
Exact Mass375.02
IUPAC Name5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NCc2c(P)c(F)c(F)c(P)c2P)ccc1O
InChIInChI=1S/C14H14F2NO3P3/c15-9-10(16)13(23)12(22)7(11(9)21)4-17-5-1-2-8(18)6(3-5)14(19)20/h1-3,17-18H,4,21-23H2,(H,19,20)
InChIKeyUBFLXCBFAPANKS-UHFFFAOYSA-N
XLogP1.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(cyanomethylamino)-2-hydroxybenzoic acid
CID 45089274
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669
5-[2-(4-chlorophenyl)ethylamino]-2-hydroxybenzoic acid;5-[2-(3,4-difluorophenyl)ethylamino]-2-hydroxybenzoic acid
CID 175364280
sodium 2-hydroxy-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoate
CID 23666512
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555
2-fluoro-5-[(3,4,5-trifluorophenyl)methylamino]benzoic acid
CID 63051204
2-fluoro-5-[(2-hydroxy-5-methylphenyl)methylamino]benzoic acid
CID 63324809
5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid
CID 142689339
2-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methylamino]benzoic acid
CID 174571987
2-hydroxy-5-(sulfanylamino)benzoic acid
CID 170946645
5-[3-(3,4-dichlorophenyl)propylamino]-2-hydroxybenzoic acid
CID 23650049
5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid
CID 19624676

Frequently Asked Questions

What is the IUPAC name of 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid (CID 142891106) is 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid is O=C(O)c1cc(NCc2c(P)c(F)c(F)c(P)c2P)ccc1O.
What is the InChIKey of 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid?
The InChIKey is UBFLXCBFAPANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2NO3P3/c15-9-10(16)13(23)12(22)7(11(9)21)4-17-5-1-2-8(18)6(3-5)14(19)20/h1-3,17-18H,4,21-23H2,(H,19,20).
What are the key properties of 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid?
5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid has a molecular weight of 375.19 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,4-difluoro-2,5,6-tris(phosphanyl)phenyl]methylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 142891106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).