2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine

C11H9ClN2O3S — CID 56997377

IUPAC2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine
SMILESCC(Oc1ccc([N+](=O)[O-])cn1)c1cc(Cl)cs1
InChIInChI=1S/C11H9ClN2O3S/c1-7(10-4-8(12)6-18-10)17-11-3-2-9(5-13-11)14(15)16/h2-7H,1H3
InChIKeyWLRQQYGYWVNXLD-UHFFFAOYSA-N
MW284.72 g/mol
LogP3.84
Rot. Bonds4

About 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine

2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine (PubChem CID 56997377) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine.

Molecular Properties

Compound Name2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine
PubChem CID56997377
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine
SMILESCC(Oc1ccc([N+](=O)[O-])cn1)c1cc(Cl)cs1
InChIInChI=1S/C11H9ClN2O3S/c1-7(10-4-8(12)6-18-10)17-11-3-2-9(5-13-11)14(15)16/h2-7H,1H3
InChIKeyWLRQQYGYWVNXLD-UHFFFAOYSA-N
XLogP3.84
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 53.84
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-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine
CID 175518370
5-nitro-2-pentan-2-yloxypyridine
CID 143371031
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
1-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 86796225
5-nitro-2-propan-2-ylsulfonylpyridine
CID 23537091
2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
CID 20535520
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine?
The IUPAC name of 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine (CID 56997377) is 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine.
What is the SMILES notation for 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine?
The canonical SMILES for 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine is CC(Oc1ccc([N+](=O)[O-])cn1)c1cc(Cl)cs1.
What is the InChIKey of 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine?
The InChIKey is WLRQQYGYWVNXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c1-7(10-4-8(12)6-18-10)17-11-3-2-9(5-13-11)14(15)16/h2-7H,1H3.
What are the key properties of 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine?
2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine has a molecular weight of 284.72 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine is sourced from PubChem (CID 56997377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).