2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine

C8H7ClN2O4 — CID 118585912

IUPAC2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(C2OCCO2)cnc1Cl
InChIInChI=1S/C8H7ClN2O4/c9-7-6(11(12)13)3-5(4-10-7)8-14-1-2-15-8/h3-4,8H,1-2H2
InChIKeyCYRMWURPHPNGJE-UHFFFAOYSA-N
MW230.61 g/mol
LogP1.69
Rot. Bonds2

About 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine

2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine (PubChem CID 118585912) has the molecular formula C8H7ClN2O4 and a molecular weight of 230.61 g/mol. Its IUPAC name is 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine
PubChem CID118585912
Molecular FormulaC8H7ClN2O4
Molecular Weight230.61 g/mol
Exact Mass230.01
IUPAC Name2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(C2OCCO2)cnc1Cl
InChIInChI=1S/C8H7ClN2O4/c9-7-6(11(12)13)3-5(4-10-7)8-14-1-2-15-8/h3-4,8H,1-2H2
InChIKeyCYRMWURPHPNGJE-UHFFFAOYSA-N
XLogP1.69
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.61
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
CID 130648559
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
CID 87510432
2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
CID 119024598
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
CID 158145766
(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
CID 130699268
[5-(1,3-dioxolan-2-yl)-2-methoxy-3-nitrophenyl] acetate
CID 12928000
5-[2-(4-chloro-3-nitrophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 167407850
2-(3-bromo-5-nitrophenyl)-1,3-dioxolane
CID 121228647
oxolan-3-yl 2-chloro-5-nitropyridine-3-carboxylate
CID 114047981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine?
The IUPAC name of 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine (CID 118585912) is 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine.
What is the SMILES notation for 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine?
The canonical SMILES for 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine is O=[N+]([O-])c1cc(C2OCCO2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine?
The InChIKey is CYRMWURPHPNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O4/c9-7-6(11(12)13)3-5(4-10-7)8-14-1-2-15-8/h3-4,8H,1-2H2.
What are the key properties of 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine?
2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine has a molecular weight of 230.61 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine is sourced from PubChem (CID 118585912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).