2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine

C13H12N4O4 — CID 141238151

IUPAC2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine
SMILESCC1(c2cccc(Cn3cc([N+](=O)[O-])cn3)n2)OC=CO1
InChIInChI=1S/C13H12N4O4/c1-13(20-5-6-21-13)12-4-2-3-10(15-12)8-16-9-11(7-14-16)17(18)19/h2-7,9H,8H2,1H3
InChIKeySKYCOQBZYPYLHC-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.93
Rot. Bonds4

About 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine

2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine (PubChem CID 141238151) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine
PubChem CID141238151
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine
SMILESCC1(c2cccc(Cn3cc([N+](=O)[O-])cn3)n2)OC=CO1
InChIInChI=1S/C13H12N4O4/c1-13(20-5-6-21-13)12-4-2-3-10(15-12)8-16-9-11(7-14-16)17(18)19/h2-7,9H,8H2,1H3
InChIKeySKYCOQBZYPYLHC-UHFFFAOYSA-N
XLogP1.93
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine 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

1-[[4-(2-methyl-1,3-dioxol-2-yl)thiophen-2-yl]methyl]-4-nitropyrazole
CID 141238131
1-[(3-methylphenyl)methyl]-4-nitropyrazole
CID 4581447
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928816
3-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 167777500
[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061286
3-[(4-nitropyrazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 86992257
3-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 19658032
2-[(4-nitropyrazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 19542358
2-N,2-N-dimethyl-6-[(4-nitropyrazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 78881872
2-nitro-6-[(4-nitropyrazol-1-yl)methyl]benzoic acid
CID 104825592
2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251874

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine (CID 141238151) is 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine is CC1(c2cccc(Cn3cc([N+](=O)[O-])cn3)n2)OC=CO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine?
The InChIKey is SKYCOQBZYPYLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-13(20-5-6-21-13)12-4-2-3-10(15-12)8-16-9-11(7-14-16)17(18)19/h2-7,9H,8H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine?
2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine has a molecular weight of 288.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxol-2-yl)-6-[(4-nitropyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 141238151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).