5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine

C13H12N4O4 — CID 24903305

IUPAC5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESCc1cnc(NCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N4O4/c1-9-6-12(17(20)21)13(14-7-9)15-8-10-4-2-3-5-11(10)16(18)19/h2-7H,8H2,1H3,(H,14,15)
InChIKeyFJOVKMYUMDWUQD-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.82
Rot. Bonds5

About 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine

5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 24903305) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
PubChem CID24903305
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESCc1cnc(NCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N4O4/c1-9-6-12(17(20)21)13(14-7-9)15-8-10-4-2-3-5-11(10)16(18)19/h2-7H,8H2,1H3,(H,14,15)
InChIKeyFJOVKMYUMDWUQD-UHFFFAOYSA-N
XLogP2.82
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.82
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

N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
N-[(4-ethylphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 103704940
5-methyl-3-nitro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 79493627
N-[(2-methylphenyl)methyl]-3-nitro-5-(trifluoromethyl)pyridin-2-amine
CID 24903266
6-[(2-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442374
2-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115698431
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 103883727
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 79035565
N-[(4-bromothiophen-2-yl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 66279394
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine (CID 24903305) is 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine is Cc1cnc(NCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is FJOVKMYUMDWUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-9-6-12(17(20)21)13(14-7-9)15-8-10-4-2-3-5-11(10)16(18)19/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 288.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 24903305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).