[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate

C8H11BF4N2O — CID 75365836

IUPAC[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate
SMILESCCOC(=[NH2+])c1cccnc1.F[B-](F)(F)F
InChIInChI=1S/C8H10N2O.BF4/c1-2-11-8(9)7-4-3-5-10-6-7;2-1(3,4)5/h3-6,9H,2H2,1H3;/q;-1/p+1
InChIKeyPRGNFKDFKAFSQY-UHFFFAOYSA-O
MW237.99 g/mol
LogP0.92
Rot. Bonds2

About [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate

[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate (PubChem CID 75365836) has the molecular formula C8H11BF4N2O and a molecular weight of 237.99 g/mol. Its IUPAC name is [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate.

Molecular Properties

Compound Name[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate
PubChem CID75365836
Molecular FormulaC8H11BF4N2O
Molecular Weight237.99 g/mol
Exact Mass238.09
IUPAC Name[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate
SMILESCCOC(=[NH2+])c1cccnc1.F[B-](F)(F)F
InChIInChI=1S/C8H10N2O.BF4/c1-2-11-8(9)7-4-3-5-10-6-7;2-1(3,4)5/h3-6,9H,2H2,1H3;/q;-1/p+1
InChIKeyPRGNFKDFKAFSQY-UHFFFAOYSA-O
XLogP0.92
TPSA47.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.99
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
ethyl 2-diazo-2-pyridin-3-ylacetate
CID 170961774
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
ethyl 2-methylpyridine-3-carboxylate;pyridine-3-carboxylic acid
CID 161330561
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
diethyl 2-(pyridine-3-carbonyl)butanedioate
CID 45039205
ethyl 3,3-bis(methylsulfanyl)-2-pyridin-3-ylprop-2-enoate
CID 117064219
ethyl 3-(pyridine-3-carbonyl)but-3-enoate
CID 22457754

Frequently Asked Questions

What is the IUPAC name of [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate?
The IUPAC name of [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate (CID 75365836) is [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate.
What is the SMILES notation for [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate?
The canonical SMILES for [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate is CCOC(=[NH2+])c1cccnc1.F[B-](F)(F)F.
What is the InChIKey of [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate?
The InChIKey is PRGNFKDFKAFSQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2O.BF4/c1-2-11-8(9)7-4-3-5-10-6-7;2-1(3,4)5/h3-6,9H,2H2,1H3;/q;-1/p+1.
What are the key properties of [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate?
[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate has a molecular weight of 237.99 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate is sourced from PubChem (CID 75365836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).