(4-methyl-3-pyridinyl)methanimine

C7H8N2 — CID 89161625

IUPAC(4-methyl-3-pyridinyl)methanimine
SMILES[H]/N=C/c1cnccc1C
InChIInChI=1S/C7H8N2/c1-6-2-3-9-5-7(6)4-8/h2-5,8H,1H3/b8-4+
InChIKeyYMNCRHWTXCPUHC-XBXARRHUSA-N
MW120.15 g/mol
LogP1.39
Rot. Bonds1

About (4-methyl-3-pyridinyl)methanimine

(4-methyl-3-pyridinyl)methanimine (PubChem CID 89161625) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)methanimine.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)methanimine
PubChem CID89161625
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(4-methyl-3-pyridinyl)methanimine
SMILES[H]/N=C/c1cnccc1C
InChIInChI=1S/C7H8N2/c1-6-2-3-9-5-7(6)4-8/h2-5,8H,1H3/b8-4+
InChIKeyYMNCRHWTXCPUHC-XBXARRHUSA-N
XLogP1.39
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-propan-2-yl-4-pyridinyl)methanimine
CID 176559448
[4-(trifluoromethyl)-3-pyridinyl]methanimine
CID 142976342
(NZ)-N-[(4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 5355244
3-methanimidoyl-4-methylaniline
CID 142987257
3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
CID 134566553
ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
CID 143786948
3-bromo-4-methylpyridine;ethane
CID 143472846
ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
CID 143716531
(E)-2-amino-3-(4-methyl-3-pyridinyl)prop-2-enoic acid
CID 104830952
4-methyl-3-[(Z)-3-methylidenepent-1-enyl]pyridine
CID 145372695
(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine
CID 103092887
4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416520

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)methanimine?
The IUPAC name of (4-methyl-3-pyridinyl)methanimine (CID 89161625) is (4-methyl-3-pyridinyl)methanimine.
What is the SMILES notation for (4-methyl-3-pyridinyl)methanimine?
The canonical SMILES for (4-methyl-3-pyridinyl)methanimine is [H]/N=C/c1cnccc1C.
What is the InChIKey of (4-methyl-3-pyridinyl)methanimine?
The InChIKey is YMNCRHWTXCPUHC-XBXARRHUSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-2-3-9-5-7(6)4-8/h2-5,8H,1H3/b8-4+.
What are the key properties of (4-methyl-3-pyridinyl)methanimine?
(4-methyl-3-pyridinyl)methanimine has a molecular weight of 120.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)methanimine is sourced from PubChem (CID 89161625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).