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

C13H13N3O3 — CID 63591480

IUPAC6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(NCc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13N3O3/c1-19-13-8-4-7-12(15-13)14-9-10-5-2-3-6-11(10)16(17)18/h2-8H,9H2,1H3,(H,14,15)
InChIKeyKXKFKONJOIFPIH-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.61
Rot. Bonds5

About 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine

6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 63591480) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
PubChem CID63591480
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(NCc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13N3O3/c1-19-13-8-4-7-12(15-13)14-9-10-5-2-3-6-11(10)16(17)18/h2-8H,9H2,1H3,(H,14,15)
InChIKeyKXKFKONJOIFPIH-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-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
CID 103112015
5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 103802148
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 103113863
N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 28712735
6-bromo-N-[(2-nitrophenyl)methyl]-2-propylpyrimidin-4-amine
CID 106194622
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 103112013
6-methoxy-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 79756545

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine (CID 63591480) is 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine is COc1cccc(NCc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is KXKFKONJOIFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-13-8-4-7-12(15-13)14-9-10-5-2-3-6-11(10)16(17)18/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine?
6-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 6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63591480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).