2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine

C12H15N3O2 — CID 134589257

IUPAC2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine
SMILESCc1ncc(C=C2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O2/c1-9-12(15(16)17)7-11(8-14-9)6-10-2-4-13-5-3-10/h6-8,13H,2-5H2,1H3
InChIKeySOXZSUJXWNXILO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.07
Rot. Bonds2

About 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine

2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine (PubChem CID 134589257) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine.

Molecular Properties

Compound Name2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine
PubChem CID134589257
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine
SMILESCc1ncc(C=C2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O2/c1-9-12(15(16)17)7-11(8-14-9)6-10-2-4-13-5-3-10/h6-8,13H,2-5H2,1H3
InChIKeySOXZSUJXWNXILO-UHFFFAOYSA-N
XLogP2.07
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(6-methyl-5-nitro-3-pyridinyl)prop-2-ene-1-thiol
CID 169455515
2,5-dimethyl-3-nitropyridine
CID 12626468
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
4-[(5-chloro-2-methyl-3-nitrophenyl)methylidene]piperidine
CID 155212037
5-(4-bromobut-1-enyl)-2-methyl-3-nitropyridine
CID 170497793
4-(6-methyl-5-nitro-3-pyridinyl)but-3-enoic acid
CID 170483903
N-methyl-4-(6-methyl-5-nitro-3-pyridinyl)but-3-en-1-amine
CID 170496101
5-ethynyl-2-methyl-3-nitropyridine
CID 58476611
(6-methyl-5-nitro-3-pyridinyl)urea
CID 175936167
3-(6-chloro-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473911
5-(cyclohexylidenemethyl)-2-nitropyridine
CID 165451675
2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine
CID 133480016

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine?
The IUPAC name of 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine (CID 134589257) is 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine.
What is the SMILES notation for 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine?
The canonical SMILES for 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine is Cc1ncc(C=C2CCNCC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine?
The InChIKey is SOXZSUJXWNXILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-12(15(16)17)7-11(8-14-9)6-10-2-4-13-5-3-10/h6-8,13H,2-5H2,1H3.
What are the key properties of 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine?
2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine has a molecular weight of 233.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine is sourced from PubChem (CID 134589257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).