[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid

C13H13BFNO3 — CID 114674747

IUPAC[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(F)c(OCCc2cccnc2)c1
InChIInChI=1S/C13H13BFNO3/c15-12-4-3-11(14(17)18)8-13(12)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17-18H,5,7H2
InChIKeyFVBDFTYTRJQAGT-UHFFFAOYSA-N
MW261.06 g/mol
LogP0.52
Rot. Bonds5

About [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid

[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid (PubChem CID 114674747) has the molecular formula C13H13BFNO3 and a molecular weight of 261.06 g/mol. Its IUPAC name is [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid
PubChem CID114674747
Molecular FormulaC13H13BFNO3
Molecular Weight261.06 g/mol
Exact Mass261.10
IUPAC Name[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(F)c(OCCc2cccnc2)c1
InChIInChI=1S/C13H13BFNO3/c15-12-4-3-11(14(17)18)8-13(12)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17-18H,5,7H2
InChIKeyFVBDFTYTRJQAGT-UHFFFAOYSA-N
XLogP0.52
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649
3-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]pyridine
CID 114675498
4-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
[3-(2-pyridin-4-ylethoxy)phenyl]boronic acid
CID 60893229
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol
CID 63651512
3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
CID 171833507
3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid?
The IUPAC name of [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid (CID 114674747) is [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid.
What is the SMILES notation for [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid?
The canonical SMILES for [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid is OB(O)c1ccc(F)c(OCCc2cccnc2)c1.
What is the InChIKey of [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid?
The InChIKey is FVBDFTYTRJQAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BFNO3/c15-12-4-3-11(14(17)18)8-13(12)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9,17-18H,5,7H2.
What are the key properties of [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid?
[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid has a molecular weight of 261.06 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid is sourced from PubChem (CID 114674747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).