3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine

C12H10N4O4 — CID 15567578

IUPAC3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(CNc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O4/c17-15(18)10-5-3-9(4-6-10)8-14-12-11(16(19)20)2-1-7-13-12/h1-7H,8H2,(H,13,14)
InChIKeyFGIBODVLLXUHFY-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.51
Rot. Bonds5

About 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine

3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 15567578) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
PubChem CID15567578
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(CNc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O4/c17-15(18)10-5-3-9(4-6-10)8-14-12-11(16(19)20)2-1-7-13-12/h1-7H,8H2,(H,13,14)
InChIKeyFGIBODVLLXUHFY-UHFFFAOYSA-N
XLogP2.51
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.51
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-[(4-methylsulfonylphenyl)methyl]-3-nitropyridin-2-amine
CID 60502817
3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111440
N-[[3-(dimethylamino)phenyl]methyl]-3-nitropyridin-2-amine
CID 133279684
3-[(4-nitrophenyl)methylamino]pyrazine-2-carboxylic acid
CID 62711144
2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 43706113
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]methanesulfonamide
CID 32884362
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 122158489
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine (CID 15567578) is 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine is O=[N+]([O-])c1ccc(CNc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is FGIBODVLLXUHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-15(18)10-5-3-9(4-6-10)8-14-12-11(16(19)20)2-1-7-13-12/h1-7H,8H2,(H,13,14).
What are the key properties of 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine?
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 274.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 15567578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).