[4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid

C11H10BFN2O2 — CID 90313226

IUPAC[4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid
SMILESNc1ccc(-c2ccc(B(O)O)cc2F)cn1
InChIInChI=1S/C11H10BFN2O2/c13-10-5-8(12(16)17)2-3-9(10)7-1-4-11(14)15-6-7/h1-6,16-17H,(H2,14,15)
InChIKeyCLXCMGDGBPPPFS-UHFFFAOYSA-N
MW232.02 g/mol
LogP0.15
Rot. Bonds2

About [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid

[4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid (PubChem CID 90313226) has the molecular formula C11H10BFN2O2 and a molecular weight of 232.02 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid
PubChem CID90313226
Molecular FormulaC11H10BFN2O2
Molecular Weight232.02 g/mol
Exact Mass232.08
IUPAC Name[4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid
SMILESNc1ccc(-c2ccc(B(O)O)cc2F)cn1
InChIInChI=1S/C11H10BFN2O2/c13-10-5-8(12(16)17)2-3-9(10)7-1-4-11(14)15-6-7/h1-6,16-17H,(H2,14,15)
InChIKeyCLXCMGDGBPPPFS-UHFFFAOYSA-N
XLogP0.15
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-5-ylboronic acid;5-(1H-indol-5-yl)pyridin-2-amine
CID 160976696
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
CID 90313538
(6-amino-5-fluoro-3-pyridinyl)boronic acid
CID 91882688
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
CID 90313870
5-(4-fluorophenyl)pyridin-2-amine
CID 22504802
5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine
CID 90312983
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]boronic acid
CID 11637419
5-(2,6-difluoro-3-methylphenyl)pyridin-2-amine
CID 82822652
(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448022
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]benzenesulfonamide
CID 90314096
3-(6-amino-3-pyridinyl)-4-chlorophenol
CID 56777458

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid?
The IUPAC name of [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid (CID 90313226) is [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid?
The canonical SMILES for [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid is Nc1ccc(-c2ccc(B(O)O)cc2F)cn1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid?
The InChIKey is CLXCMGDGBPPPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BFN2O2/c13-10-5-8(12(16)17)2-3-9(10)7-1-4-11(14)15-6-7/h1-6,16-17H,(H2,14,15).
What are the key properties of [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid?
[4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid has a molecular weight of 232.02 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)-3-fluorophenyl]boronic acid is sourced from PubChem (CID 90313226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).