3-(3-chloro-2-nitrophenoxy)-2-methylpyridine

C12H9ClN2O3 — CID 104835444

IUPAC3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
SMILESCc1ncccc1Oc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN2O3/c1-8-10(6-3-7-14-8)18-11-5-2-4-9(13)12(11)15(16)17/h2-7H,1H3
InChIKeyVEIONPZKUCMWGP-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.74
Rot. Bonds3

About 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine

3-(3-chloro-2-nitrophenoxy)-2-methylpyridine (PubChem CID 104835444) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine.

Molecular Properties

Compound Name3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
PubChem CID104835444
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
SMILESCc1ncccc1Oc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN2O3/c1-8-10(6-3-7-14-8)18-11-5-2-4-9(13)12(11)15(16)17/h2-7H,1H3
InChIKeyVEIONPZKUCMWGP-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

1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380
3-(3-chloro-2-nitrophenoxy)pyridine
CID 104835355
1-chloro-3-(2-methylsulfanylphenoxy)-2-nitrobenzene
CID 113458813
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
CID 80883095
1-chloro-3-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 104835375
3-(3-chloro-2-nitrophenoxy)-4-methylbenzonitrile
CID 107657758
1-chloro-3-(2-methylpropoxy)-2-nitrobenzene
CID 104835274
2-(3-chloro-2-nitrophenoxy)benzamide
CID 104835314
3-[(3-chloro-2-nitrophenoxy)methyl]pentan-3-amine
CID 113459400
1-chloro-2-nitro-3-(trichloromethoxy)benzene
CID 23344175
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
1-chloro-2-nitro-3-(2,2,2-trifluoroethoxy)benzene
CID 104835265

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine?
The IUPAC name of 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine (CID 104835444) is 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine.
What is the SMILES notation for 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine?
The canonical SMILES for 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine is Cc1ncccc1Oc1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine?
The InChIKey is VEIONPZKUCMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-8-10(6-3-7-14-8)18-11-5-2-4-9(13)12(11)15(16)17/h2-7H,1H3.
What are the key properties of 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine?
3-(3-chloro-2-nitrophenoxy)-2-methylpyridine 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 3-(3-chloro-2-nitrophenoxy)-2-methylpyridine is sourced from PubChem (CID 104835444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).