2,5-dimethylpyridine-3,4-diimine

C7H9N3 — CID 122676871

IUPAC2,5-dimethylpyridine-3,4-diimine
SMILES[H]/N=C1\C(C)=NC=C(C)\C1=N/[H]
InChIInChI=1S/C7H9N3/c1-4-3-10-5(2)7(9)6(4)8/h3,8-9H,1-2H3/b8-6+,9-7+
InChIKeyHNBFBHSUBXYRCX-CDJQDVQCSA-N
MW135.17 g/mol
LogP1.40
Rot. Bonds

About 2,5-dimethylpyridine-3,4-diimine

2,5-dimethylpyridine-3,4-diimine (PubChem CID 122676871) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,5-dimethylpyridine-3,4-diimine.

Molecular Properties

Compound Name2,5-dimethylpyridine-3,4-diimine
PubChem CID122676871
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2,5-dimethylpyridine-3,4-diimine
SMILES[H]/N=C1\C(C)=NC=C(C)\C1=N/[H]
InChIInChI=1S/C7H9N3/c1-4-3-10-5(2)7(9)6(4)8/h3,8-9H,1-2H3/b8-6+,9-7+
InChIKeyHNBFBHSUBXYRCX-CDJQDVQCSA-N
XLogP1.40
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(Fluoromethyl)-2-methyl-3,4-dihydropyridine
CID 178841293
3,4-Dihydropyridin-5-ylmethanimine
CID 57049993
2,3-Diethylazete
CID 68135013
2,5-Dimethyl-3,4-dihydropyridine
CID 68215781
(E)-2-methyl-3-methyliminobut-1-en-1-amine
CID 88882934
4,7-Dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89162544
(Z)-(2-methyliminocyclohexylidene)methanamine
CID 89395344
3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 90796579
4-N-ethylidene-3-methylbut-3-ene-2,4-diimine
CID 91293252
N-[(Z)-(2-iminocyclohexylidene)methyl]methanimidoyl iodide
CID 117734330
2-N-ethyl-4-methylpent-4-ene-2,3-diimine
CID 123769443
2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
CID 131971006

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine-3,4-diimine?
The IUPAC name of 2,5-dimethylpyridine-3,4-diimine (CID 122676871) is 2,5-dimethylpyridine-3,4-diimine.
What is the SMILES notation for 2,5-dimethylpyridine-3,4-diimine?
The canonical SMILES for 2,5-dimethylpyridine-3,4-diimine is [H]/N=C1\C(C)=NC=C(C)\C1=N/[H].
What is the InChIKey of 2,5-dimethylpyridine-3,4-diimine?
The InChIKey is HNBFBHSUBXYRCX-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H9N3/c1-4-3-10-5(2)7(9)6(4)8/h3,8-9H,1-2H3/b8-6+,9-7+.
What are the key properties of 2,5-dimethylpyridine-3,4-diimine?
2,5-dimethylpyridine-3,4-diimine has a molecular weight of 135.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine-3,4-diimine is sourced from PubChem (CID 122676871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).