2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol

C18H14F2N2O2 — CID 134158355

IUPAC2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol
SMILESCN(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1
InChIInChI=1S/C18H14F2N2O2/c1-22(11-8-9-13(19)16(24)10-11)17-7-3-5-14(21-17)12-4-2-6-15(23)18(12)20/h2-10,23-24H,1H3
InChIKeyTZILIAOKSRIZHK-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.21
Rot. Bonds3

About 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol

2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol (PubChem CID 134158355) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol
PubChem CID134158355
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol
SMILESCN(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1
InChIInChI=1S/C18H14F2N2O2/c1-22(11-8-9-13(19)16(24)10-11)17-7-3-5-14(21-17)12-4-2-6-15(23)18(12)20/h2-10,23-24H,1H3
InChIKeyTZILIAOKSRIZHK-UHFFFAOYSA-N
XLogP4.21
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol?
The IUPAC name of 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol (CID 134158355) is 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol.
What is the SMILES notation for 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol?
The canonical SMILES for 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol is CN(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1.
What is the InChIKey of 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol?
The InChIKey is TZILIAOKSRIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-22(11-8-9-13(19)16(24)10-11)17-7-3-5-14(21-17)12-4-2-6-15(23)18(12)20/h2-10,23-24H,1H3.
What are the key properties of 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol?
2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol has a molecular weight of 328.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[6-(4-fluoro-3-hydroxy-N-methylanilino)-2-pyridinyl]phenol is sourced from PubChem (CID 134158355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).