trifluoro-(4-formyl-3-pyridinyl)boranuide

C6H4BF3NO- — CID 57416948

IUPACtrifluoro-(4-formyl-3-pyridinyl)boranuide
SMILESO=Cc1ccncc1[B-](F)(F)F
InChIInChI=1S/C6H4BF3NO/c8-7(9,10)6-3-11-2-1-5(6)4-12/h1-4H/q-1
InChIKeyOMQQOAQNCVEMMH-UHFFFAOYSA-N
MW173.91 g/mol
LogP0.95
Rot. Bonds2

About trifluoro-(4-formyl-3-pyridinyl)boranuide

trifluoro-(4-formyl-3-pyridinyl)boranuide (PubChem CID 57416948) has the molecular formula C6H4BF3NO- and a molecular weight of 173.91 g/mol. Its IUPAC name is trifluoro-(4-formyl-3-pyridinyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(4-formyl-3-pyridinyl)boranuide
PubChem CID57416948
Molecular FormulaC6H4BF3NO-
Molecular Weight173.91 g/mol
Exact Mass174.03
IUPAC Nametrifluoro-(4-formyl-3-pyridinyl)boranuide
SMILESO=Cc1ccncc1[B-](F)(F)F
InChIInChI=1S/C6H4BF3NO/c8-7(9,10)6-3-11-2-1-5(6)4-12/h1-4H/q-1
InChIKeyOMQQOAQNCVEMMH-UHFFFAOYSA-N
XLogP0.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.91
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
trifluoro-(4-fluoro-3-pyridinyl)boranuide
CID 133056871
3-trimethylstannylpyridine-4-carbaldehyde
CID 10378405
3-pyridin-4-ylpyridine-4-carbaldehyde
CID 46316056
3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde
CID 18316610
potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide
CID 102707180
1,7-naphthyridine-4-carbaldehyde
CID 87323322
3-cyclopentylpyridine-4-carbaldehyde
CID 82411124
4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbaldehyde
CID 118812839
3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
CID 169447869
4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 82382595
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352

Frequently Asked Questions

What is the IUPAC name of trifluoro-(4-formyl-3-pyridinyl)boranuide?
The IUPAC name of trifluoro-(4-formyl-3-pyridinyl)boranuide (CID 57416948) is trifluoro-(4-formyl-3-pyridinyl)boranuide.
What is the SMILES notation for trifluoro-(4-formyl-3-pyridinyl)boranuide?
The canonical SMILES for trifluoro-(4-formyl-3-pyridinyl)boranuide is O=Cc1ccncc1[B-](F)(F)F.
What is the InChIKey of trifluoro-(4-formyl-3-pyridinyl)boranuide?
The InChIKey is OMQQOAQNCVEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BF3NO/c8-7(9,10)6-3-11-2-1-5(6)4-12/h1-4H/q-1.
What are the key properties of trifluoro-(4-formyl-3-pyridinyl)boranuide?
trifluoro-(4-formyl-3-pyridinyl)boranuide has a molecular weight of 173.91 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(4-formyl-3-pyridinyl)boranuide is sourced from PubChem (CID 57416948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).