3-chloro-5-nitro-2-piperidin-3-yloxypyridine

C10H12ClN3O3 — CID 114046940

IUPAC3-chloro-5-nitro-2-piperidin-3-yloxypyridine
SMILESO=[N+]([O-])c1cnc(OC2CCCNC2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c11-9-4-7(14(15)16)5-13-10(9)17-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6H2
InChIKeyMSFHVVQXCWHXNV-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.77
Rot. Bonds3

About 3-chloro-5-nitro-2-piperidin-3-yloxypyridine

3-chloro-5-nitro-2-piperidin-3-yloxypyridine (PubChem CID 114046940) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-chloro-5-nitro-2-piperidin-3-yloxypyridine.

Molecular Properties

Compound Name3-chloro-5-nitro-2-piperidin-3-yloxypyridine
PubChem CID114046940
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name3-chloro-5-nitro-2-piperidin-3-yloxypyridine
SMILESO=[N+]([O-])c1cnc(OC2CCCNC2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c11-9-4-7(14(15)16)5-13-10(9)17-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6H2
InChIKeyMSFHVVQXCWHXNV-UHFFFAOYSA-N
XLogP1.77
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.77
H-Bond Donors ≤ 51
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

3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
3-bromo-4-methyl-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 113420700
3-bromo-4-methyl-5-nitro-2-piperidin-3-yloxypyridine
CID 104508427
3,5-dichloro-2-pyrrolidin-3-yloxypyridine
CID 62347674
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
CID 102771875
2-cyclohexyloxy-3-fluoro-5-nitropyridine
CID 176696407
3-(3-methyl-5-nitrophenoxy)piperidine
CID 112649701
(3S)-3-(5-chloro-2-methyl-4-nitrophenoxy)piperidine
CID 115556289
5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 53255914
(3S)-3-(3-chloro-2-nitrophenoxy)piperidine
CID 104839566
3-(2-iodo-4-nitrophenoxy)piperidine
CID 66093717
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitro-2-piperidin-3-yloxypyridine?
The IUPAC name of 3-chloro-5-nitro-2-piperidin-3-yloxypyridine (CID 114046940) is 3-chloro-5-nitro-2-piperidin-3-yloxypyridine.
What is the SMILES notation for 3-chloro-5-nitro-2-piperidin-3-yloxypyridine?
The canonical SMILES for 3-chloro-5-nitro-2-piperidin-3-yloxypyridine is O=[N+]([O-])c1cnc(OC2CCCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-nitro-2-piperidin-3-yloxypyridine?
The InChIKey is MSFHVVQXCWHXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-9-4-7(14(15)16)5-13-10(9)17-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6H2.
What are the key properties of 3-chloro-5-nitro-2-piperidin-3-yloxypyridine?
3-chloro-5-nitro-2-piperidin-3-yloxypyridine has a molecular weight of 257.68 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-nitro-2-piperidin-3-yloxypyridine is sourced from PubChem (CID 114046940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).