2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine

C9H6ClN3O2 — CID 141489852

IUPAC2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine
SMILESO=[N+]([O-])c1c(-c2ccc[nH]2)ccnc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-9-8(13(14)15)6(3-5-12-9)7-2-1-4-11-7/h1-5,11H
InChIKeyLISJINFVCDWWEW-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.64
Rot. Bonds2

About 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine

2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine (PubChem CID 141489852) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine
PubChem CID141489852
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine
SMILESO=[N+]([O-])c1c(-c2ccc[nH]2)ccnc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-9-8(13(14)15)6(3-5-12-9)7-2-1-4-11-7/h1-5,11H
InChIKeyLISJINFVCDWWEW-UHFFFAOYSA-N
XLogP2.64
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-nitro-4-(1H-pyrrol-2-yl)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-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-3-nitropyridine-4-carboxamide
CID 115668438
2-chloro-3-nitropyridine-4-carboxylic acid;nitrous acid
CID 175487239
2-chloro-3-nitro-4-propoxypyridine
CID 160997420
2,3-dinitrophenol;2-phenyl-1H-pyrrole
CID 157436478
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
CID 83014753
2-chloro-N-(2-methoxyethyl)-3-nitropyridin-4-amine
CID 87404808
(2S)-2-[(2-chloro-3-nitropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 114036572
2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 115683157
azane;2-nitro-1H-pyrrole
CID 172724090
potassium 2-nitro-1H-imidazole
CID 23707816
diethyl 2-(2-chloro-3-nitro-4-pyridinyl)propanedioate
CID 139679093
2-[(2-chloro-3-nitro-4-pyridinyl)amino]ethylcarbamic acid
CID 87285994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine?
The IUPAC name of 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine (CID 141489852) is 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine is O=[N+]([O-])c1c(-c2ccc[nH]2)ccnc1Cl.
What is the InChIKey of 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine?
The InChIKey is LISJINFVCDWWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-9-8(13(14)15)6(3-5-12-9)7-2-1-4-11-7/h1-5,11H.
What are the key properties of 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine?
2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine has a molecular weight of 223.62 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-4-(1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 141489852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).