1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine

C10H15N3O3 — CID 174432384

IUPAC1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
SMILESCOc1ccc([N+](=O)[O-])c(C(C)N(C)C)n1
InChIInChI=1S/C10H15N3O3/c1-7(12(2)3)10-8(13(14)15)5-6-9(11-10)16-4/h5-7H,1-4H3
InChIKeyDFVSUNTZRFYVAE-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.62
Rot. Bonds4

About 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine

1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine (PubChem CID 174432384) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
PubChem CID174432384
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
SMILESCOc1ccc([N+](=O)[O-])c(C(C)N(C)C)n1
InChIInChI=1S/C10H15N3O3/c1-7(12(2)3)10-8(13(14)15)5-6-9(11-10)16-4/h5-7H,1-4H3
InChIKeyDFVSUNTZRFYVAE-UHFFFAOYSA-N
XLogP1.62
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.62
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

6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
CID 157299402
CID 157299402
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]butan-2-ol
CID 113252246
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
S-[2,3-dihydroxy-3-(6-methoxy-3-nitro-2-pyridinyl)propyl] ethanethioate
CID 170822580
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
CID 115323531
3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
CID 69333966
3-[(6-methoxy-3-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115323357
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine (CID 174432384) is 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine is COc1ccc([N+](=O)[O-])c(C(C)N(C)C)n1.
What is the InChIKey of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine?
The InChIKey is DFVSUNTZRFYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(12(2)3)10-8(13(14)15)5-6-9(11-10)16-4/h5-7H,1-4H3.
What are the key properties of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine?
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine has a molecular weight of 225.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine is sourced from PubChem (CID 174432384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).