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

C13H13N3O3 — CID 103802148

IUPAC5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(NCc2ccccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H13N3O3/c1-19-11-6-7-13(15-9-11)14-8-10-4-2-3-5-12(10)16(17)18/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyVSCHANCVSFGUIS-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.61
Rot. Bonds5

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

5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 103802148) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
PubChem CID103802148
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(NCc2ccccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H13N3O3/c1-19-11-6-7-13(15-9-11)14-8-10-4-2-3-5-12(10)16(17)18/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyVSCHANCVSFGUIS-UHFFFAOYSA-N
XLogP2.61
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
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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Related Compounds

6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 63591480
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305
1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 28712735
N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211634
2-[(4-methoxy-2-nitroanilino)methyl]phenol
CID 43717858
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60663527
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine (CID 103802148) is 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine is COc1ccc(NCc2ccccc2[N+](=O)[O-])nc1.
What is the InChIKey of 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is VSCHANCVSFGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-11-6-7-13(15-9-11)14-8-10-4-2-3-5-12(10)16(17)18/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103802148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).