5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane

C13H21ClN2O4 — CID 142523619

IUPAC5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
SMILESC.CC.COC1CC(Oc2ncc(Cl)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11ClN2O4.C2H6.CH4/c1-16-7-3-8(4-7)17-10-9(13(14)15)2-6(11)5-12-10;1-2;/h2,5,7-8H,3-4H2,1H3;1-2H3;1H4
InChIKeyZUORATWIOHUEPG-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.86
Rot. Bonds4

About 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane

5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane (PubChem CID 142523619) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane.

Molecular Properties

Compound Name5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
PubChem CID142523619
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
SMILESC.CC.COC1CC(Oc2ncc(Cl)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11ClN2O4.C2H6.CH4/c1-16-7-3-8(4-7)17-10-9(13(14)15)2-6(11)5-12-10;1-2;/h2,5,7-8H,3-4H2,1H3;1-2H3;1H4
InChIKeyZUORATWIOHUEPG-UHFFFAOYSA-N
XLogP3.86
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.86
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

5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
2-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile
CID 103473325
6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114775810
3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
CID 59849927
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine
CID 71190455
3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
CID 114837770
5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine
CID 79733625
5-bromo-2-(1-methylpiperidin-4-yl)oxy-3-nitropyridine
CID 61374363
1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate
CID 175137480
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzonitrile
CID 59849857
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane?
The IUPAC name of 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane (CID 142523619) is 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane.
What is the SMILES notation for 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane?
The canonical SMILES for 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane is C.CC.COC1CC(Oc2ncc(Cl)cc2[N+](=O)[O-])C1.
What is the InChIKey of 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane?
The InChIKey is ZUORATWIOHUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4.C2H6.CH4/c1-16-7-3-8(4-7)17-10-9(13(14)15)2-6(11)5-12-10;1-2;/h2,5,7-8H,3-4H2,1H3;1-2H3;1H4.
What are the key properties of 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane?
5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane has a molecular weight of 304.77 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane is sourced from PubChem (CID 142523619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).