4-methyl-5-nitropyridine-2-carbaldehyde

C7H6N2O3 — CID 14570994

IUPAC4-methyl-5-nitropyridine-2-carbaldehyde
SMILESCc1cc(C=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O3/c1-5-2-6(4-10)8-3-7(5)9(11)12/h2-4H,1H3
InChIKeyOBGLQHSGHQAMLV-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.11
Rot. Bonds2

About 4-methyl-5-nitropyridine-2-carbaldehyde

4-methyl-5-nitropyridine-2-carbaldehyde (PubChem CID 14570994) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-methyl-5-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-5-nitropyridine-2-carbaldehyde
PubChem CID14570994
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name4-methyl-5-nitropyridine-2-carbaldehyde
SMILESCc1cc(C=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O3/c1-5-2-6(4-10)8-3-7(5)9(11)12/h2-4H,1H3
InChIKeyOBGLQHSGHQAMLV-UHFFFAOYSA-N
XLogP1.11
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-5-nitropyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
CID 137239122
4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine
CID 170487275
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
CID 161075001
2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
CID 170485626
1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834
6-formyl-4-methylpyridine-3-carbonitrile
CID 131440294
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
2-amino-5-methyl-4-nitrobenzaldehyde
CID 20585942
4-methyl-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine
CID 79176604
(4-methyl-5-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 86079677

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitropyridine-2-carbaldehyde?
The IUPAC name of 4-methyl-5-nitropyridine-2-carbaldehyde (CID 14570994) is 4-methyl-5-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 4-methyl-5-nitropyridine-2-carbaldehyde?
The canonical SMILES for 4-methyl-5-nitropyridine-2-carbaldehyde is Cc1cc(C=O)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitropyridine-2-carbaldehyde?
The InChIKey is OBGLQHSGHQAMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c1-5-2-6(4-10)8-3-7(5)9(11)12/h2-4H,1H3.
What are the key properties of 4-methyl-5-nitropyridine-2-carbaldehyde?
4-methyl-5-nitropyridine-2-carbaldehyde has a molecular weight of 166.14 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 14570994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).