3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine

C14H18ClN3O3 — CID 133377795

IUPAC3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CCOC3(CCCC3)C2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-7-11(18(19)20)9-16-13(12)17-10-3-6-21-14(8-10)4-1-2-5-14/h7,9-10H,1-6,8H2,(H,16,17)
InChIKeyFABWDOGXBFYGPM-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine

3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine (PubChem CID 133377795) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
PubChem CID133377795
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NC2CCOC3(CCCC3)C2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-7-11(18(19)20)9-16-13(12)17-10-3-6-21-14(8-10)4-1-2-5-14/h7,9-10H,1-6,8H2,(H,16,17)
InChIKeyFABWDOGXBFYGPM-UHFFFAOYSA-N
XLogP3.55
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.55
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-chloro-5-nitro-N-(1-oxaspiro[5.5]undecan-4-yl)pyridin-2-amine
CID 133378045
5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 133377744
3-bromo-N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 115563804
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172
N-(2,4-dinitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133378052
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
N-(5-bromo-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377759
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377672
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
6-methyl-2-(3-nitrophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133378040

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine (CID 133377795) is 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine is O=[N+]([O-])c1cnc(NC2CCOC3(CCCC3)C2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The InChIKey is FABWDOGXBFYGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-12-7-11(18(19)20)9-16-13(12)17-10-3-6-21-14(8-10)4-1-2-5-14/h7,9-10H,1-6,8H2,(H,16,17).
What are the key properties of 3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine has a molecular weight of 311.77 g/mol, XLogP of 3.55, 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-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine is sourced from PubChem (CID 133377795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).