3-nitro-N-phenylmethoxypyridin-2-amine

C12H11N3O3 — CID 9108958

IUPAC3-nitro-N-phenylmethoxypyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NOCc1ccccc1
InChIInChI=1S/C12H11N3O3/c16-15(17)11-7-4-8-13-12(11)14-18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14)
InChIKeyQXQYCSUAMSWGDG-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.53
Rot. Bonds5

About 3-nitro-N-phenylmethoxypyridin-2-amine

3-nitro-N-phenylmethoxypyridin-2-amine (PubChem CID 9108958) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-nitro-N-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-phenylmethoxypyridin-2-amine
PubChem CID9108958
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-nitro-N-phenylmethoxypyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NOCc1ccccc1
InChIInChI=1S/C12H11N3O3/c16-15(17)11-7-4-8-13-12(11)14-18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14)
InChIKeyQXQYCSUAMSWGDG-UHFFFAOYSA-N
XLogP2.53
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.53
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

2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid
CID 115572218
benzyl 3-nitropyridine-2-carboxylate
CID 19034701
3-nitro-N-[(Z)-(3-nitro-4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 126109598
N-methyl-3-nitropyridin-2-amine
CID 556349
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine
CID 133327275
N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126114153
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
(2R)-2-N-benzyl-3,3,3-trifluoro-1-N-(3-nitro-2-pyridinyl)propane-1,2-diamine
CID 124743986
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-phenylmethoxypyridin-2-amine?
The IUPAC name of 3-nitro-N-phenylmethoxypyridin-2-amine (CID 9108958) is 3-nitro-N-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 3-nitro-N-phenylmethoxypyridin-2-amine?
The canonical SMILES for 3-nitro-N-phenylmethoxypyridin-2-amine is O=[N+]([O-])c1cccnc1NOCc1ccccc1.
What is the InChIKey of 3-nitro-N-phenylmethoxypyridin-2-amine?
The InChIKey is QXQYCSUAMSWGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-15(17)11-7-4-8-13-12(11)14-18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14).
What are the key properties of 3-nitro-N-phenylmethoxypyridin-2-amine?
3-nitro-N-phenylmethoxypyridin-2-amine has a molecular weight of 245.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 9108958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).