6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine

C11H14ClN3O3 — CID 103888875

IUPAC6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
SMILESCN(c1cc([N+](=O)[O-])cc(Cl)n1)C1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c1-14(8-2-4-18-5-3-8)11-7-9(15(16)17)6-10(12)13-11/h6-8H,2-5H2,1H3
InChIKeyRZVKGPYIXOFWGX-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.26
Rot. Bonds3

About 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine

6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 103888875) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
PubChem CID103888875
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
SMILESCN(c1cc([N+](=O)[O-])cc(Cl)n1)C1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c1-14(8-2-4-18-5-3-8)11-7-9(15(16)17)6-10(12)13-11/h6-8H,2-5H2,1H3
InChIKeyRZVKGPYIXOFWGX-UHFFFAOYSA-N
XLogP2.26
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.26
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

6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine
CID 102809432
6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine
CID 114070824
6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82749005
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 61279787
3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine
CID 115000778
6-chloro-N-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
3-[(6-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686
1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine
CID 105498881
2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile
CID 83073662
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine
CID 103888286

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine (CID 103888875) is 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine is CN(c1cc([N+](=O)[O-])cc(Cl)n1)C1CCOCC1.
What is the InChIKey of 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is RZVKGPYIXOFWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-14(8-2-4-18-5-3-8)11-7-9(15(16)17)6-10(12)13-11/h6-8H,2-5H2,1H3.
What are the key properties of 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine?
6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 271.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 103888875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).