ethyl 3-methylpyridine-2-carboximidate

C9H12N2O — CID 91526885

IUPACethyl 3-methylpyridine-2-carboximidate
SMILES[H]/N=C(\OCC)c1ncccc1C
InChIInChI=1S/C9H12N2O/c1-3-12-9(10)8-7(2)5-4-6-11-8/h4-6,10H,3H2,1-2H3/b10-9-
InChIKeyBXWXXMSWDYFEAV-KTKRTIGZSA-N
MW164.21 g/mol
LogP1.75
Rot. Bonds2

About ethyl 3-methylpyridine-2-carboximidate

ethyl 3-methylpyridine-2-carboximidate (PubChem CID 91526885) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is ethyl 3-methylpyridine-2-carboximidate.

Molecular Properties

Compound Nameethyl 3-methylpyridine-2-carboximidate
PubChem CID91526885
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Nameethyl 3-methylpyridine-2-carboximidate
SMILES[H]/N=C(\OCC)c1ncccc1C
InChIInChI=1S/C9H12N2O/c1-3-12-9(10)8-7(2)5-4-6-11-8/h4-6,10H,3H2,1-2H3/b10-9-
InChIKeyBXWXXMSWDYFEAV-KTKRTIGZSA-N
XLogP1.75
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.75
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

Doxylamine
CID 3162
2-Pyridinealdoxime O-benzyl ether
CID 9562669
2-Pyridinemethanol, 2-acetate
CID 13881
Pyridin-2-ylmethyl phenylcarbamate
CID 658831
Methyl Picolinimidate
CID 152260
3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
2-(Benzyloxyiminomethyl)pyridine
CID 98778
2-Pyridinyl-1,3-dioxolane
CID 79773
2-Pyridinylmethyl butyrate
CID 99347
Propionic acid, 2,2-dimethyl-, 2-pyridylmethyl ester
CID 198257
4-Bromo-2-(methoxymethyl)pyridine
CID 58355080
2-(2-Methyl-1,3-dioxolan-2-yl)pyridine
CID 324521

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylpyridine-2-carboximidate?
The IUPAC name of ethyl 3-methylpyridine-2-carboximidate (CID 91526885) is ethyl 3-methylpyridine-2-carboximidate.
What is the SMILES notation for ethyl 3-methylpyridine-2-carboximidate?
The canonical SMILES for ethyl 3-methylpyridine-2-carboximidate is [H]/N=C(\OCC)c1ncccc1C.
What is the InChIKey of ethyl 3-methylpyridine-2-carboximidate?
The InChIKey is BXWXXMSWDYFEAV-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-12-9(10)8-7(2)5-4-6-11-8/h4-6,10H,3H2,1-2H3/b10-9-.
What are the key properties of ethyl 3-methylpyridine-2-carboximidate?
ethyl 3-methylpyridine-2-carboximidate has a molecular weight of 164.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylpyridine-2-carboximidate is sourced from PubChem (CID 91526885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).