N-ethyl-2H-pyridin-3-imine

C7H10N2 — CID 86750054

IUPACN-ethyl-2H-pyridin-3-imine
SMILESCC/N=C1\C=CC=NC1
InChIInChI=1S/C7H10N2/c1-2-9-7-4-3-5-8-6-7/h3-5H,2,6H2,1H3/b9-7+
InChIKeyOFQARAHDLMJCFF-VQHVLOKHSA-N
MW122.17 g/mol
LogP1.09
Rot. Bonds1

About N-ethyl-2H-pyridin-3-imine

N-ethyl-2H-pyridin-3-imine (PubChem CID 86750054) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-ethyl-2H-pyridin-3-imine.

Molecular Properties

Compound NameN-ethyl-2H-pyridin-3-imine
PubChem CID86750054
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-ethyl-2H-pyridin-3-imine
SMILESCC/N=C1\C=CC=NC1
InChIInChI=1S/C7H10N2/c1-2-9-7-4-3-5-8-6-7/h3-5H,2,6H2,1H3/b9-7+
InChIKeyOFQARAHDLMJCFF-VQHVLOKHSA-N
XLogP1.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine
CID 13347754
Dimethyl 1,4-benzoquinone diimine
CID 18730289
2-Methyl-2,3-dihydropyridine
CID 21652564
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
3,3-Dimethylpyridine
CID 129722078
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
3-fluoro-N-methyl-2H-pyridin-5-imine
CID 123433010
3-fluoro-3-methyl-2H-pyridine
CID 153958627
2,4a-Dihydro-pyrido[2,3-b]pyrazine
CID 129891838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2H-pyridin-3-imine?
The IUPAC name of N-ethyl-2H-pyridin-3-imine (CID 86750054) is N-ethyl-2H-pyridin-3-imine.
What is the SMILES notation for N-ethyl-2H-pyridin-3-imine?
The canonical SMILES for N-ethyl-2H-pyridin-3-imine is CC/N=C1\C=CC=NC1.
What is the InChIKey of N-ethyl-2H-pyridin-3-imine?
The InChIKey is OFQARAHDLMJCFF-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-9-7-4-3-5-8-6-7/h3-5H,2,6H2,1H3/b9-7+.
What are the key properties of N-ethyl-2H-pyridin-3-imine?
N-ethyl-2H-pyridin-3-imine has a molecular weight of 122.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2H-pyridin-3-imine is sourced from PubChem (CID 86750054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).