3-(3-chloro-2-nitrophenoxy)pyridine

C11H7ClN2O3 — CID 104835355

IUPAC3-(3-chloro-2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1c(Cl)cccc1Oc1cccnc1
InChIInChI=1S/C11H7ClN2O3/c12-9-4-1-5-10(11(9)14(15)16)17-8-3-2-6-13-7-8/h1-7H
InChIKeySGSQLSIOKRWLRU-UHFFFAOYSA-N
MW250.64 g/mol
LogP3.44
Rot. Bonds3

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

3-(3-chloro-2-nitrophenoxy)pyridine (PubChem CID 104835355) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 3-(3-chloro-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-(3-chloro-2-nitrophenoxy)pyridine
PubChem CID104835355
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name3-(3-chloro-2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1c(Cl)cccc1Oc1cccnc1
InChIInChI=1S/C11H7ClN2O3/c12-9-4-1-5-10(11(9)14(15)16)17-8-3-2-6-13-7-8/h1-7H
InChIKeySGSQLSIOKRWLRU-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
CID 104835429
3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
CID 104835444
1-chloro-3-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 104835375
1-chloro-3-(3-fluoro-4-nitrophenoxy)-2-nitrobenzene
CID 104835402
6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
CID 104835398
1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380
1-chloro-2-nitro-3-(trichloromethoxy)benzene
CID 23344175
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 22538100
1-chloro-3-(2-methylsulfanylphenoxy)-2-nitrobenzene
CID 113458813
3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-nitroaniline
CID 80877347
2,6-dipyridin-3-yloxyphenol
CID 139940524
5-nitro-4-pyridin-3-yloxy-1H-pyrimidin-6-one
CID 22537481

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-nitrophenoxy)pyridine?
The IUPAC name of 3-(3-chloro-2-nitrophenoxy)pyridine (CID 104835355) is 3-(3-chloro-2-nitrophenoxy)pyridine.
What is the SMILES notation for 3-(3-chloro-2-nitrophenoxy)pyridine?
The canonical SMILES for 3-(3-chloro-2-nitrophenoxy)pyridine is O=[N+]([O-])c1c(Cl)cccc1Oc1cccnc1.
What is the InChIKey of 3-(3-chloro-2-nitrophenoxy)pyridine?
The InChIKey is SGSQLSIOKRWLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-9-4-1-5-10(11(9)14(15)16)17-8-3-2-6-13-7-8/h1-7H.
What are the key properties of 3-(3-chloro-2-nitrophenoxy)pyridine?
3-(3-chloro-2-nitrophenoxy)pyridine 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 3-(3-chloro-2-nitrophenoxy)pyridine is sourced from PubChem (CID 104835355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).