propyl pyridine-3-carboximidate

C9H12N2O — CID 11819373

IUPACpropyl pyridine-3-carboximidate
SMILES[H]/N=C(\OCCC)c1cccnc1
InChIInChI=1S/C9H12N2O/c1-2-6-12-9(10)8-4-3-5-11-7-8/h3-5,7,10H,2,6H2,1H3/b10-9-
InChIKeyJJJRVXVHMCAYLB-KTKRTIGZSA-N
MW164.21 g/mol
LogP1.83
Rot. Bonds3

About propyl pyridine-3-carboximidate

propyl pyridine-3-carboximidate (PubChem CID 11819373) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is propyl pyridine-3-carboximidate.

Molecular Properties

Compound Namepropyl pyridine-3-carboximidate
PubChem CID11819373
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Namepropyl pyridine-3-carboximidate
SMILES[H]/N=C(\OCCC)c1cccnc1
InChIInChI=1S/C9H12N2O/c1-2-6-12-9(10)8-4-3-5-11-7-8/h3-5,7,10H,2,6H2,1H3/b10-9-
InChIKeyJJJRVXVHMCAYLB-KTKRTIGZSA-N
XLogP1.83
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-imino-2-pyridin-3-ylacetate
CID 139939287
1-pyridin-3-ylpentan-1-imine
CID 19790330
cyano pyridine-3-carboximidate
CID 19734521
butyl N-(pyridine-3-carboximidoyl)carbamate
CID 173285765
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
heptyl pyridine-3-carboxylate
CID 531638
ethyl 5-bromopyridine-3-carboximidate
CID 79018458
[ethoxy(pyridin-3-yl)methylidene]azanium tetrafluoroborate
CID 75365836
diethyl 2-(pyridine-3-carbonyl)butanedioate
CID 45039205
(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
CID 141168429
ethyl pyridine-3-carboperoxoate
CID 143721352

Frequently Asked Questions

What is the IUPAC name of propyl pyridine-3-carboximidate?
The IUPAC name of propyl pyridine-3-carboximidate (CID 11819373) is propyl pyridine-3-carboximidate.
What is the SMILES notation for propyl pyridine-3-carboximidate?
The canonical SMILES for propyl pyridine-3-carboximidate is [H]/N=C(\OCCC)c1cccnc1.
What is the InChIKey of propyl pyridine-3-carboximidate?
The InChIKey is JJJRVXVHMCAYLB-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-6-12-9(10)8-4-3-5-11-7-8/h3-5,7,10H,2,6H2,1H3/b10-9-.
What are the key properties of propyl pyridine-3-carboximidate?
propyl pyridine-3-carboximidate has a molecular weight of 164.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl pyridine-3-carboximidate is sourced from PubChem (CID 11819373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).