N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine

C12H10N4O5 — CID 2837279

IUPACN-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine
SMILESCOc1ccccc1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O5/c1-21-11-5-3-2-4-9(11)14-12-10(16(19)20)6-8(7-13-12)15(17)18/h2-7H,1H3,(H,13,14)
InChIKeyWOTSKDVAWCTHMA-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.65
Rot. Bonds5

About N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine

N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine (PubChem CID 2837279) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine
PubChem CID2837279
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC NameN-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine
SMILESCOc1ccccc1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O5/c1-21-11-5-3-2-4-9(11)14-12-10(16(19)20)6-8(7-13-12)15(17)18/h2-7H,1H3,(H,13,14)
InChIKeyWOTSKDVAWCTHMA-UHFFFAOYSA-N
XLogP2.65
TPSA120.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine (CID 2837279) is N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine is COc1ccccc1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine?
The InChIKey is WOTSKDVAWCTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c1-21-11-5-3-2-4-9(11)14-12-10(16(19)20)6-8(7-13-12)15(17)18/h2-7H,1H3,(H,13,14).
What are the key properties of N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine?
N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine has a molecular weight of 290.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3,5-dinitropyridin-2-amine is sourced from PubChem (CID 2837279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).