fluorooxy-(6-methyl-3-pyridinyl)borinic acid

C6H7BFNO2 — CID 174939931

IUPACfluorooxy-(6-methyl-3-pyridinyl)borinic acid
SMILESCc1ccc(B(O)OF)cn1
InChIInChI=1S/C6H7BFNO2/c1-5-2-3-6(4-9-5)7(10)11-8/h2-4,10H,1H3
InChIKeyFBLVLQWDDWRCGP-UHFFFAOYSA-N
MW154.94 g/mol
LogP-0.02
Rot. Bonds2

About fluorooxy-(6-methyl-3-pyridinyl)borinic acid

fluorooxy-(6-methyl-3-pyridinyl)borinic acid (PubChem CID 174939931) has the molecular formula C6H7BFNO2 and a molecular weight of 154.94 g/mol. Its IUPAC name is fluorooxy-(6-methyl-3-pyridinyl)borinic acid.

Molecular Properties

Compound Namefluorooxy-(6-methyl-3-pyridinyl)borinic acid
PubChem CID174939931
Molecular FormulaC6H7BFNO2
Molecular Weight154.94 g/mol
Exact Mass155.06
IUPAC Namefluorooxy-(6-methyl-3-pyridinyl)borinic acid
SMILESCc1ccc(B(O)OF)cn1
InChIInChI=1S/C6H7BFNO2/c1-5-2-3-6(4-9-5)7(10)11-8/h2-4,10H,1H3
InChIKeyFBLVLQWDDWRCGP-UHFFFAOYSA-N
XLogP-0.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.94
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methyl-3-pyridinyl)-sulfanylborinic acid
CID 70701229
5-fluoro-2-methylpyridine;methanol;hydrochloride
CID 142285240
potassium 6-methylpyridin-3-olate
CID 23709082
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365
(6-methyl-3-pyridinyl) hypochlorite
CID 164916594
2,5-dimethylpyrazine;hydrochloride
CID 160725136
5-bromo-2-methylpyridine;formic acid
CID 174794271
methoxymethane;(6-methyl-3-pyridinyl)methanol
CID 145375166
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
(6-fluoro-3-pyridinyl)boronic acid
CID 2783397
CID 161195002
CID 161195002

Frequently Asked Questions

What is the IUPAC name of fluorooxy-(6-methyl-3-pyridinyl)borinic acid?
The IUPAC name of fluorooxy-(6-methyl-3-pyridinyl)borinic acid (CID 174939931) is fluorooxy-(6-methyl-3-pyridinyl)borinic acid.
What is the SMILES notation for fluorooxy-(6-methyl-3-pyridinyl)borinic acid?
The canonical SMILES for fluorooxy-(6-methyl-3-pyridinyl)borinic acid is Cc1ccc(B(O)OF)cn1.
What is the InChIKey of fluorooxy-(6-methyl-3-pyridinyl)borinic acid?
The InChIKey is FBLVLQWDDWRCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO2/c1-5-2-3-6(4-9-5)7(10)11-8/h2-4,10H,1H3.
What are the key properties of fluorooxy-(6-methyl-3-pyridinyl)borinic acid?
fluorooxy-(6-methyl-3-pyridinyl)borinic acid has a molecular weight of 154.94 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxy-(6-methyl-3-pyridinyl)borinic acid is sourced from PubChem (CID 174939931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).