2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine

C9H7ClN4O2 — CID 62300486

IUPAC2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine
SMILESO=[N+]([O-])c1cnn(Cc2ccnc(Cl)c2)c1
InChIInChI=1S/C9H7ClN4O2/c10-9-3-7(1-2-11-9)5-13-6-8(4-12-13)14(15)16/h1-4,6H,5H2
InChIKeyRMNXVNUFBZWISJ-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.89
Rot. Bonds3

About 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine

2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine (PubChem CID 62300486) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine
PubChem CID62300486
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine
SMILESO=[N+]([O-])c1cnn(Cc2ccnc(Cl)c2)c1
InChIInChI=1S/C9H7ClN4O2/c10-9-3-7(1-2-11-9)5-13-6-8(4-12-13)14(15)16/h1-4,6H,5H2
InChIKeyRMNXVNUFBZWISJ-UHFFFAOYSA-N
XLogP1.89
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.89
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-4-[(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-[(3-methylphenyl)methyl]-4-nitropyrazole
CID 4581447
2-nitro-4-[(4-nitropyrazol-1-yl)methyl]aniline
CID 55046334
3-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 167777500
1-[(2-chloro-5-nitrophenyl)methyl]-4-nitropyrazole
CID 43169178
1-[(4-ethenylphenyl)methyl]-4-nitropyrazole
CID 91823815
2-bromo-3-methyl-5-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 162520181
N-[(3R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-5-nitropyridin-2-amine
CID 95901073
1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
CID 75357814
[3-[(4-nitropyrazol-1-yl)methyl]phenyl]carbamic acid
CID 130338861
1-[(3-chlorophenyl)methyl]-4-[(4-nitropyrazol-1-yl)methyl]piperazine
CID 22195281
2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251874
N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1225788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine (CID 62300486) is 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine is O=[N+]([O-])c1cnn(Cc2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine?
The InChIKey is RMNXVNUFBZWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-9-3-7(1-2-11-9)5-13-6-8(4-12-13)14(15)16/h1-4,6H,5H2.
What are the key properties of 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine?
2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine has a molecular weight of 238.63 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 62300486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).