N-(4-methoxy-2-nitrophenyl)pyridin-4-amine

C12H11N3O3 — CID 121011704

IUPACN-(4-methoxy-2-nitrophenyl)pyridin-4-amine
SMILESCOc1ccc(Nc2ccncc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-18-10-2-3-11(12(8-10)15(16)17)14-9-4-6-13-7-5-9/h2-8H,1H3,(H,13,14)
InChIKeyXGCAHCLUIAKBFU-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.74
Rot. Bonds4

About N-(4-methoxy-2-nitrophenyl)pyridin-4-amine

N-(4-methoxy-2-nitrophenyl)pyridin-4-amine (PubChem CID 121011704) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)pyridin-4-amine
PubChem CID121011704
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)pyridin-4-amine
SMILESCOc1ccc(Nc2ccncc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-18-10-2-3-11(12(8-10)15(16)17)14-9-4-6-13-7-5-9/h2-8H,1H3,(H,13,14)
InChIKeyXGCAHCLUIAKBFU-UHFFFAOYSA-N
XLogP2.74
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.74
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

4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 90117018
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 161454492
4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
CID 54070021
4-(4-methoxyanilino)-3-nitrobenzonitrile
CID 2988965
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
N-(4-methoxy-2-nitrophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 2837465
N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258582
5-methoxy-N-(4-methylphenyl)-2-nitroaniline
CID 67365056
3-chloro-N-(5-methoxy-2-nitrophenyl)pyridin-4-amine
CID 169316055
N-(4-methoxy-2-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 3280820
2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline
CID 146172805

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)pyridin-4-amine?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)pyridin-4-amine (CID 121011704) is N-(4-methoxy-2-nitrophenyl)pyridin-4-amine.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)pyridin-4-amine?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)pyridin-4-amine is COc1ccc(Nc2ccncc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)pyridin-4-amine?
The InChIKey is XGCAHCLUIAKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-10-2-3-11(12(8-10)15(16)17)14-9-4-6-13-7-5-9/h2-8H,1H3,(H,13,14).
What are the key properties of N-(4-methoxy-2-nitrophenyl)pyridin-4-amine?
N-(4-methoxy-2-nitrophenyl)pyridin-4-amine has a molecular weight of 245.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)pyridin-4-amine is sourced from PubChem (CID 121011704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).