3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine

C12H8BrClN2O4 — CID 114837726

IUPAC3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C12H8BrClN2O4/c1-19-11-5-8(16(17)18)2-3-10(11)20-12-9(13)4-7(14)6-15-12/h2-6H,1H3
InChIKeyCFKKVNLUGRPIKI-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.21
Rot. Bonds4

About 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine

3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine (PubChem CID 114837726) has the molecular formula C12H8BrClN2O4 and a molecular weight of 359.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
PubChem CID114837726
Molecular FormulaC12H8BrClN2O4
Molecular Weight359.56 g/mol
Exact Mass357.94
IUPAC Name3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C12H8BrClN2O4/c1-19-11-5-8(16(17)18)2-3-10(11)20-12-9(13)4-7(14)6-15-12/h2-6H,1H3
InChIKeyCFKKVNLUGRPIKI-UHFFFAOYSA-N
XLogP4.21
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
CID 143108320
3-bromo-5-chloro-2-(4-ethyl-2-methoxyphenoxy)pyridine
CID 107667632
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
CID 103589278
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
CID 66318033
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
2-[(3-bromo-5-nitro-2-pyridinyl)oxy]-5-chlorobenzoic acid
CID 79531145
2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
CID 63961925
3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
CID 79534868

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine?
The IUPAC name of 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine (CID 114837726) is 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine is COc1cc([N+](=O)[O-])ccc1Oc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine?
The InChIKey is CFKKVNLUGRPIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4/c1-19-11-5-8(16(17)18)2-3-10(11)20-12-9(13)4-7(14)6-15-12/h2-6H,1H3.
What are the key properties of 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine?
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine has a molecular weight of 359.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine is sourced from PubChem (CID 114837726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).