2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine

C11H11ClN4O2 — CID 55075456

IUPAC2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2cccnc2Cl)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H11ClN4O2/c1-7-10(16(17)18)8(2)15(14-7)6-9-4-3-5-13-11(9)12/h3-5H,6H2,1-2H3
InChIKeyQCKGZMWZSCJBPR-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.50
Rot. Bonds3

About 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine

2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine (PubChem CID 55075456) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine
PubChem CID55075456
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2cccnc2Cl)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H11ClN4O2/c1-7-10(16(17)18)8(2)15(14-7)6-9-4-3-5-13-11(9)12/h3-5H,6H2,1-2H3
InChIKeyQCKGZMWZSCJBPR-UHFFFAOYSA-N
XLogP2.50
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-3-[(3,5-dimethyl-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

2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate
CID 7015130
5-chloro-3-methyl-1-[(2-methylphenyl)methyl]-4-nitropyrazole
CID 66014694
3,5-dimethyl-4-nitro-1-[(4-phenylphenyl)methyl]pyrazole
CID 9453009
3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
CID 104513882
2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-methylsulfanylquinoline
CID 8006241
1-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-4-nitropyrazole
CID 8947599
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958656
1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole
CID 47214236
2-chloro-3-[(4-nitroimidazol-1-yl)methyl]pyridine
CID 62470959
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]aniline
CID 113274124
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 673667
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine (CID 55075456) is 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine is Cc1nn(Cc2cccnc2Cl)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine?
The InChIKey is QCKGZMWZSCJBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-7-10(16(17)18)8(2)15(14-7)6-9-4-3-5-13-11(9)12/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine?
2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine has a molecular weight of 266.69 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 55075456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).