3-(4-chlorophenoxy)-4-nitropyridine

C11H7ClN2O3 — CID 21106908

IUPAC3-(4-chlorophenoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2O3/c12-8-1-3-9(4-2-8)17-11-7-13-6-5-10(11)14(15)16/h1-7H
InChIKeyFBVMPYZMTIAHKB-UHFFFAOYSA-N
MW250.64 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-chlorophenoxy)-4-nitropyridine

3-(4-chlorophenoxy)-4-nitropyridine (PubChem CID 21106908) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-4-nitropyridine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-4-nitropyridine
PubChem CID21106908
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name3-(4-chlorophenoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2O3/c12-8-1-3-9(4-2-8)17-11-7-13-6-5-10(11)14(15)16/h1-7H
InChIKeyFBVMPYZMTIAHKB-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-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
CID 114287950
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
5-[(6-chloro-3-pyridinyl)oxy]-8-nitroisoquinoline
CID 133384113
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]ethanol
CID 107709588
5-[(3-chloro-4-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077869
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]acetic acid
CID 61395522
N-[3-(4-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide
CID 11772569
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362
2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55156102

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-4-nitropyridine?
The IUPAC name of 3-(4-chlorophenoxy)-4-nitropyridine (CID 21106908) is 3-(4-chlorophenoxy)-4-nitropyridine.
What is the SMILES notation for 3-(4-chlorophenoxy)-4-nitropyridine?
The canonical SMILES for 3-(4-chlorophenoxy)-4-nitropyridine is O=[N+]([O-])c1ccncc1Oc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-4-nitropyridine?
The InChIKey is FBVMPYZMTIAHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-8-1-3-9(4-2-8)17-11-7-13-6-5-10(11)14(15)16/h1-7H.
What are the key properties of 3-(4-chlorophenoxy)-4-nitropyridine?
3-(4-chlorophenoxy)-4-nitropyridine 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-(4-chlorophenoxy)-4-nitropyridine is sourced from PubChem (CID 21106908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).