3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine

C8H11N3O3 — CID 18551970

IUPAC3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine
SMILESCOc1c(N(C)C)ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-10(2)6-4-5-9-8(11(12)13)7(6)14-3/h4-5H,1-3H3
InChIKeyFEPWPPKFGNIYSQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.06
Rot. Bonds3

About 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine

3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine (PubChem CID 18551970) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine
PubChem CID18551970
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine
SMILESCOc1c(N(C)C)ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-10(2)6-4-5-9-8(11(12)13)7(6)14-3/h4-5H,1-3H3
InChIKeyFEPWPPKFGNIYSQ-UHFFFAOYSA-N
XLogP1.06
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine?
The IUPAC name of 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine (CID 18551970) is 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine?
The canonical SMILES for 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine is COc1c(N(C)C)ccnc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine?
The InChIKey is FEPWPPKFGNIYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-10(2)6-4-5-9-8(11(12)13)7(6)14-3/h4-5H,1-3H3.
What are the key properties of 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine?
3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine has a molecular weight of 197.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine is sourced from PubChem (CID 18551970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).