3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane

C14H15ClN2O4 — CID 143108320

IUPAC3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
SMILESCC.COc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H9ClN2O4.C2H6/c1-18-12-5-9(15(16)17)2-3-11(12)19-10-4-8(13)6-14-7-10;1-2/h2-7H,1H3;1-2H3
InChIKeyCYRNOXJNVZJRQU-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.47
Rot. Bonds4

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

3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane (PubChem CID 143108320) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane.

Molecular Properties

Compound Name3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
PubChem CID143108320
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
SMILESCC.COc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H9ClN2O4.C2H6/c1-18-12-5-9(15(16)17)2-3-11(12)19-10-4-8(13)6-14-7-10;1-2/h2-7H,1H3;1-2H3
InChIKeyCYRNOXJNVZJRQU-UHFFFAOYSA-N
XLogP4.47
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.47
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

2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
CID 22148825
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-nitroaniline
CID 80877347
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118
2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane?
The IUPAC name of 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane (CID 143108320) is 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane.
What is the SMILES notation for 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane?
The canonical SMILES for 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane is CC.COc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane?
The InChIKey is CYRNOXJNVZJRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4.C2H6/c1-18-12-5-9(15(16)17)2-3-11(12)19-10-4-8(13)6-14-7-10;1-2/h2-7H,1H3;1-2H3.
What are the key properties of 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane?
3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane has a molecular weight of 310.74 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane is sourced from PubChem (CID 143108320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).