4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid

C26H20FNO4 — CID 175422727

IUPAC4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1F
InChIInChI=1S/C26H20FNO4/c27-23-15-20(11-12-22(23)26(29)30)21-13-14-24(31-16-18-7-3-1-4-8-18)28-25(21)32-17-19-9-5-2-6-10-19/h1-15H,16-17H2,(H,29,30)
InChIKeySAYXOFIZXFQHHI-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.74
Rot. Bonds8

About 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid

4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid (PubChem CID 175422727) has the molecular formula C26H20FNO4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
PubChem CID175422727
Molecular FormulaC26H20FNO4
Molecular Weight429.45 g/mol
Exact Mass429.14
IUPAC Name4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1F
InChIInChI=1S/C26H20FNO4/c27-23-15-20(11-12-22(23)26(29)30)21-13-14-24(31-16-18-7-3-1-4-8-18)28-25(21)32-17-19-9-5-2-6-10-19/h1-15H,16-17H2,(H,29,30)
InChIKeySAYXOFIZXFQHHI-UHFFFAOYSA-N
XLogP5.74
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperazine-1-carboxylate
CID 166168823
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
CID 175548926
1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate
CID 168873319
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
tert-butyl 4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]-3,3-difluoropiperidine-1-carboxylate
CID 166169038
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
CID 168874664
methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate
CID 171788735
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517
4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]borinane-1-carbonitrile
CID 166168279
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid?
The IUPAC name of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid (CID 175422727) is 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid?
The canonical SMILES for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid is O=C(O)c1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1F.
What is the InChIKey of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid?
The InChIKey is SAYXOFIZXFQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO4/c27-23-15-20(11-12-22(23)26(29)30)21-13-14-24(31-16-18-7-3-1-4-8-18)28-25(21)32-17-19-9-5-2-6-10-19/h1-15H,16-17H2,(H,29,30).
What are the key properties of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid?
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid has a molecular weight of 429.45 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid is sourced from PubChem (CID 175422727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).