2-(4-chloro-2-methylphenoxy)-5-nitropyridine

C12H9ClN2O3 — CID 2800136

IUPAC2-(4-chloro-2-methylphenoxy)-5-nitropyridine
SMILESCc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H9ClN2O3/c1-8-6-9(13)2-4-11(8)18-12-5-3-10(7-14-12)15(16)17/h2-7H,1H3
InChIKeyNTVWADDEOMWSFP-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-5-nitropyridine

2-(4-chloro-2-methylphenoxy)-5-nitropyridine (PubChem CID 2800136) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-5-nitropyridine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-5-nitropyridine
PubChem CID2800136
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name2-(4-chloro-2-methylphenoxy)-5-nitropyridine
SMILESCc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H9ClN2O3/c1-8-6-9(13)2-4-11(8)18-12-5-3-10(7-14-12)15(16)17/h2-7H,1H3
InChIKeyNTVWADDEOMWSFP-UHFFFAOYSA-N
XLogP3.74
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
2-chloro-6-(4-chloro-2-methylphenoxy)-4-nitropyridine
CID 114070725
1-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 86796225
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980
2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
ethyl 2-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]acetate
CID 70984993
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-5-nitropyridine?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-5-nitropyridine (CID 2800136) is 2-(4-chloro-2-methylphenoxy)-5-nitropyridine.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-5-nitropyridine?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-5-nitropyridine is Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-5-nitropyridine?
The InChIKey is NTVWADDEOMWSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-8-6-9(13)2-4-11(8)18-12-5-3-10(7-14-12)15(16)17/h2-7H,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-5-nitropyridine?
2-(4-chloro-2-methylphenoxy)-5-nitropyridine has a molecular weight of 264.67 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-5-nitropyridine is sourced from PubChem (CID 2800136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).