N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine

C13H13N3O4 — CID 3750418

IUPACN-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
SMILESCOc1ccc(OC)c(Nc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C13H13N3O4/c1-19-10-4-5-12(20-2)11(7-10)15-13-6-3-9(8-14-13)16(17)18/h3-8H,1-2H3,(H,14,15)
InChIKeyIOYLPKDZZBJEQF-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.75
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine

N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine (PubChem CID 3750418) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
PubChem CID3750418
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
SMILESCOc1ccc(OC)c(Nc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C13H13N3O4/c1-19-10-4-5-12(20-2)11(7-10)15-13-6-3-9(8-14-13)16(17)18/h3-8H,1-2H3,(H,14,15)
InChIKeyIOYLPKDZZBJEQF-UHFFFAOYSA-N
XLogP2.75
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
N-(2,5-dimethoxyphenyl)-2,4,6-trinitroaniline
CID 4610766
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 152662763
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea
CID 19686414
2-N-(2,5-dimethoxyphenyl)pyrazine-2,5-diamine
CID 80653257
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
CID 71500752
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine (CID 3750418) is N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine is COc1ccc(OC)c(Nc2ccc([N+](=O)[O-])cn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine?
The InChIKey is IOYLPKDZZBJEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-19-10-4-5-12(20-2)11(7-10)15-13-6-3-9(8-14-13)16(17)18/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine?
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine has a molecular weight of 275.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 3750418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).