5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid

C7H5BF3NO4 — CID 91882810

IUPAC5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)ncc1B(O)O
InChIInChI=1S/C7H5BF3NO4/c9-7(10,11)5-1-3(6(13)14)4(2-12-5)8(15)16/h1-2,15-16H,(H,13,14)
InChIKeyRIEYCUXAUIPJTK-UHFFFAOYSA-N
MW234.93 g/mol
LogP-0.52
Rot. Bonds2

About 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid

5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 91882810) has the molecular formula C7H5BF3NO4 and a molecular weight of 234.93 g/mol. Its IUPAC name is 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID91882810
Molecular FormulaC7H5BF3NO4
Molecular Weight234.93 g/mol
Exact Mass235.03
IUPAC Name5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)ncc1B(O)O
InChIInChI=1S/C7H5BF3NO4/c9-7(10,11)5-1-3(6(13)14)4(2-12-5)8(15)16/h1-2,15-16H,(H,13,14)
InChIKeyRIEYCUXAUIPJTK-UHFFFAOYSA-N
XLogP-0.52
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.93
LogP ≤ 5-0.52
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

5-borono-2-iodopyridine-4-carboxylic acid
CID 91882806
4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118844918
2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131472859
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130865841
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 117127039
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]-2,2,2-trifluoroethanone;hydrate
CID 131699636
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 138505365
4-chloro-5-[4-cyano-6-(trifluoromethyl)-3-pyridinyl]-2-methoxybenzoic acid
CID 68602194
[5-(trifluoromethyl)pyrazin-2-yl]boronic acid
CID 119086011
2-bromo-2-[5-(trifluoromethyl)pyrazin-2-yl]propanoic acid
CID 121348147

Frequently Asked Questions

What is the IUPAC name of 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid (CID 91882810) is 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(C(F)(F)F)ncc1B(O)O.
What is the InChIKey of 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is RIEYCUXAUIPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF3NO4/c9-7(10,11)5-1-3(6(13)14)4(2-12-5)8(15)16/h1-2,15-16H,(H,13,14).
What are the key properties of 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid?
5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 234.93 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 91882810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).