2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine

C12H8Cl2N2O3 — CID 65102083

IUPAC2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(COc2cccnc2Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-10-6-9(16(17)18)4-3-8(10)7-19-11-2-1-5-15-12(11)14/h1-6H,7H2
InChIKeyCGPTZSPQWLNTNY-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.88
Rot. Bonds4

About 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine

2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine (PubChem CID 65102083) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
PubChem CID65102083
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(COc2cccnc2Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-10-6-9(16(17)18)4-3-8(10)7-19-11-2-1-5-15-12(11)14/h1-6H,7H2
InChIKeyCGPTZSPQWLNTNY-UHFFFAOYSA-N
XLogP3.88
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.88
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'}

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Related Compounds

2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
3-[(2-bromo-5-nitrophenoxy)methyl]-2-chloropyridine
CID 102975217
3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine
CID 115634536
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
CID 43473004
3-bromo-4-[(2-chloro-4-nitrophenyl)methoxy]benzaldehyde
CID 63051105
4-chloro-2-[(2-chloro-4-nitrophenyl)methoxy]benzonitrile
CID 114322789
2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
CID 63529440
2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
4-(chloromethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691373
5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline
CID 60619402
5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
CID 113296504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine?
The IUPAC name of 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine (CID 65102083) is 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine is O=[N+]([O-])c1ccc(COc2cccnc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine?
The InChIKey is CGPTZSPQWLNTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-10-6-9(16(17)18)4-3-8(10)7-19-11-2-1-5-15-12(11)14/h1-6H,7H2.
What are the key properties of 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine?
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine has a molecular weight of 299.11 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 65102083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).