2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline

C17H13N3O3 — CID 146172805

IUPAC2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C17H13N3O3/c21-20(22)17-4-2-1-3-16(17)19-13-5-7-14(8-6-13)23-15-9-11-18-12-10-15/h1-12,19H
InChIKeyKBOYIZJTSMRDJP-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.53
Rot. Bonds5

About 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline

2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline (PubChem CID 146172805) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline.

Molecular Properties

Compound Name2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline
PubChem CID146172805
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C17H13N3O3/c21-20(22)17-4-2-1-3-16(17)19-13-5-7-14(8-6-13)23-15-9-11-18-12-10-15/h1-12,19H
InChIKeyKBOYIZJTSMRDJP-UHFFFAOYSA-N
XLogP4.53
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.53
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

N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704
[4-[(3-nitro-4-pyridinyl)amino]phenyl] acetate
CID 67910376
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
2-bromo-N-(2-nitrophenyl)pyridin-4-amine
CID 151479059
N-(4-methylsulfonylphenyl)-3-nitropyridin-4-amine
CID 118027362
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
N-[4-[4-[2-[4-[4-(2,4-dinitroanilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-2,4-dinitroaniline
CID 3089132
5-[(3-nitro-2-pyridinyl)sulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 4967273
(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone
CID 18358103
N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide
CID 118007792

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline?
The IUPAC name of 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline (CID 146172805) is 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline.
What is the SMILES notation for 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline?
The canonical SMILES for 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline is O=[N+]([O-])c1ccccc1Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline?
The InChIKey is KBOYIZJTSMRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-20(22)17-4-2-1-3-16(17)19-13-5-7-14(8-6-13)23-15-9-11-18-12-10-15/h1-12,19H.
What are the key properties of 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline?
2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline has a molecular weight of 307.31 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline is sourced from PubChem (CID 146172805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).