(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone

C18H12ClN3O3 — CID 13388386

IUPAC(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
SMILESO=C(c1ccccc1Cl)c1ccccc1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C18H12ClN3O3/c19-14-8-3-1-6-12(14)17(23)13-7-2-4-9-15(13)21-18-16(22(24)25)10-5-11-20-18/h1-11H,(H,20,21)
InChIKeyGDCLQQVOJWRMDI-UHFFFAOYSA-N
MW353.77 g/mol
LogP4.62
Rot. Bonds5

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

(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone (PubChem CID 13388386) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
PubChem CID13388386
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
SMILESO=C(c1ccccc1Cl)c1ccccc1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C18H12ClN3O3/c19-14-8-3-1-6-12(14)17(23)13-7-2-4-9-15(13)21-18-16(22(24)25)10-5-11-20-18/h1-11H,(H,20,21)
InChIKeyGDCLQQVOJWRMDI-UHFFFAOYSA-N
XLogP4.62
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-nitrobenzamide
CID 113347276
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone
CID 18358103
2-[3-nitro-2-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 154389587
[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone
CID 22724326
N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
CID 2837278
3-[(3-nitro-2-pyridinyl)amino]-2-phenylbenzaldehyde
CID 88643270
2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid
CID 158494808
1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 42909539
2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
CID 75520228
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
bis(2-nitrobenzoic acid);pyrimidin-2-amine
CID 87271510

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone (CID 13388386) is (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone is O=C(c1ccccc1Cl)c1ccccc1Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
The InChIKey is GDCLQQVOJWRMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-14-8-3-1-6-12(14)17(23)13-7-2-4-9-15(13)21-18-16(22(24)25)10-5-11-20-18/h1-11H,(H,20,21).
What are the key properties of (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone has a molecular weight of 353.77 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone is sourced from PubChem (CID 13388386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).