2-chloro-5-nitro-4-phenoxypyridine

C11H7ClN2O3 — CID 91620332

IUPAC2-chloro-5-nitro-4-phenoxypyridine
SMILESO=[N+]([O-])c1cnc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C11H7ClN2O3/c12-11-6-10(9(7-13-11)14(15)16)17-8-4-2-1-3-5-8/h1-7H
InChIKeyPYBFNZKHBCLDJF-UHFFFAOYSA-N
MW250.64 g/mol
LogP3.44
Rot. Bonds3

About 2-chloro-5-nitro-4-phenoxypyridine

2-chloro-5-nitro-4-phenoxypyridine (PubChem CID 91620332) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 2-chloro-5-nitro-4-phenoxypyridine.

Molecular Properties

Compound Name2-chloro-5-nitro-4-phenoxypyridine
PubChem CID91620332
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name2-chloro-5-nitro-4-phenoxypyridine
SMILESO=[N+]([O-])c1cnc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C11H7ClN2O3/c12-11-6-10(9(7-13-11)14(15)16)17-8-4-2-1-3-5-8/h1-7H
InChIKeyPYBFNZKHBCLDJF-UHFFFAOYSA-N
XLogP3.44
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-nitro-4-phenoxypyridine 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

5-nitro-2,4-diphenoxypyridine
CID 139217922
2-chloro-5-methyl-4-phenoxypyridine
CID 83269011
1,2-dimethyl-4-nitro-5-phenoxybenzene
CID 12887119
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
2-chloro-4-cyclopentyloxy-5-nitropyridine
CID 170737664
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
methyl 2-[(2-chloro-5-nitro-4-pyridinyl)oxy]acetate
CID 118278448
1,2-dichloro-3,4-dinitro-5-phenoxybenzene
CID 20555436
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol
CID 106750050
3-(4-chlorophenoxy)-4-nitropyridine
CID 21106908
2-(2-nitro-5-phenoxyphenyl)-1,3-oxazole
CID 56628535
4,4,5,5-tetramethyl-2-(4-nitro-3-phenoxyphenyl)-1,3,2-dioxaborolane
CID 138857882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-4-phenoxypyridine?
The IUPAC name of 2-chloro-5-nitro-4-phenoxypyridine (CID 91620332) is 2-chloro-5-nitro-4-phenoxypyridine.
What is the SMILES notation for 2-chloro-5-nitro-4-phenoxypyridine?
The canonical SMILES for 2-chloro-5-nitro-4-phenoxypyridine is O=[N+]([O-])c1cnc(Cl)cc1Oc1ccccc1.
What is the InChIKey of 2-chloro-5-nitro-4-phenoxypyridine?
The InChIKey is PYBFNZKHBCLDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-11-6-10(9(7-13-11)14(15)16)17-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloro-5-nitro-4-phenoxypyridine?
2-chloro-5-nitro-4-phenoxypyridine has a molecular weight of 250.64 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-4-phenoxypyridine is sourced from PubChem (CID 91620332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).