pyridine-3-carbaldehyde;triethylborane

C12H20BNO — CID 10976604

IUPACpyridine-3-carbaldehyde;triethylborane
SMILESCCB(CC)CC.O=Cc1cccnc1
InChIInChI=1S/C6H15B.C6H5NO/c1-4-7(5-2)6-3;8-5-6-2-1-3-7-4-6/h4-6H2,1-3H3;1-5H
InChIKeySJZYWQSSXVFVQR-UHFFFAOYSA-N
MW205.11 g/mol
LogP3.43
Rot. Bonds4

About pyridine-3-carbaldehyde;triethylborane

pyridine-3-carbaldehyde;triethylborane (PubChem CID 10976604) has the molecular formula C12H20BNO and a molecular weight of 205.11 g/mol. Its IUPAC name is pyridine-3-carbaldehyde;triethylborane.

Molecular Properties

Compound Namepyridine-3-carbaldehyde;triethylborane
PubChem CID10976604
Molecular FormulaC12H20BNO
Molecular Weight205.11 g/mol
Exact Mass205.16
IUPAC Namepyridine-3-carbaldehyde;triethylborane
SMILESCCB(CC)CC.O=Cc1cccnc1
InChIInChI=1S/C6H15B.C6H5NO/c1-4-7(5-2)6-3;8-5-6-2-1-3-7-4-6/h4-6H2,1-3H3;1-5H
InChIKeySJZYWQSSXVFVQR-UHFFFAOYSA-N
XLogP3.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 53.43
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

pyridine-3-carbaldehyde;hydrate;hydrochloride
CID 87987230
hydrazine;pyridine-3-carbaldehyde
CID 174684947
propane;pyridine-4-carbaldehyde
CID 144763024
dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde
CID 161103202
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
2-(pyridin-3-ylmethylidene)hexanal
CID 54164984
isoquinoline-4-carbaldehyde;triethylborane
CID 10868869
2-deuteriopyridine-3-carbaldehyde
CID 58597360
3-(1-pyridin-3-ylethyl)benzaldehyde
CID 174510753
1,1-diethoxyethane;ethene;3-(2-pyridin-3-ylethyl)benzaldehyde
CID 88650579

Frequently Asked Questions

What is the IUPAC name of pyridine-3-carbaldehyde;triethylborane?
The IUPAC name of pyridine-3-carbaldehyde;triethylborane (CID 10976604) is pyridine-3-carbaldehyde;triethylborane.
What is the SMILES notation for pyridine-3-carbaldehyde;triethylborane?
The canonical SMILES for pyridine-3-carbaldehyde;triethylborane is CCB(CC)CC.O=Cc1cccnc1.
What is the InChIKey of pyridine-3-carbaldehyde;triethylborane?
The InChIKey is SJZYWQSSXVFVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15B.C6H5NO/c1-4-7(5-2)6-3;8-5-6-2-1-3-7-4-6/h4-6H2,1-3H3;1-5H.
What are the key properties of pyridine-3-carbaldehyde;triethylborane?
pyridine-3-carbaldehyde;triethylborane has a molecular weight of 205.11 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carbaldehyde;triethylborane is sourced from PubChem (CID 10976604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).