[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone

C18H13N3O3 — CID 22724326

IUPAC[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Nc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O3/c22-17(13-6-2-1-3-7-13)14-8-4-9-15(12-14)20-18-16(21(23)24)10-5-11-19-18/h1-12H,(H,19,20)
InChIKeyJJPPFAUYNOBJPE-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.96
Rot. Bonds5

About [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone

[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone (PubChem CID 22724326) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone
PubChem CID22724326
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Nc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O3/c22-17(13-6-2-1-3-7-13)14-8-4-9-15(12-14)20-18-16(21(23)24)10-5-11-19-18/h1-12H,(H,19,20)
InChIKeyJJPPFAUYNOBJPE-UHFFFAOYSA-N
XLogP3.96
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.96
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-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 22724521
2-bromo-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366402
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
but-2-ene;ethane;N-(3-methylphenyl)-3-nitropyridin-2-amine;3-nitro-N-phenylpyridin-2-amine;prop-1-ene
CID 162194735
2-[[4-[(3-nitro-2-pyridinyl)amino]benzoyl]amino]acetic acid
CID 28854164
[2-(3-nitroanilino)-3-pyridinyl]-pyridin-4-ylmethanone
CID 142601709
3-nitro-N-[3-[2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]pyridin-2-amine
CID 54156368
3-[(5,7-dinitroquinolin-8-yl)amino]benzoate
CID 7233041
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
3-[(4-cyano-3-nitro-2-pyridinyl)amino]benzoic acid
CID 82793406
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 13388386
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963

Frequently Asked Questions

What is the IUPAC name of [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone?
The IUPAC name of [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone (CID 22724326) is [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone?
The canonical SMILES for [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(Nc2ncccc2[N+](=O)[O-])c1.
What is the InChIKey of [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone?
The InChIKey is JJPPFAUYNOBJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17(13-6-2-1-3-7-13)14-8-4-9-15(12-14)20-18-16(21(23)24)10-5-11-19-18/h1-12H,(H,19,20).
What are the key properties of [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone?
[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone has a molecular weight of 319.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone is sourced from PubChem (CID 22724326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).