1-(2-nitrophenyl)-3-pyridin-2-ylurea

C12H10N4O3 — CID 12777399

IUPAC1-(2-nitrophenyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O3/c17-12(15-11-7-3-4-8-13-11)14-9-5-1-2-6-10(9)16(18)19/h1-8H,(H2,13,14,15,17)
InChIKeyWNEBPFFLUCTUSP-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-nitrophenyl)-3-pyridin-2-ylurea

1-(2-nitrophenyl)-3-pyridin-2-ylurea (PubChem CID 12777399) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-pyridin-2-ylurea
PubChem CID12777399
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name1-(2-nitrophenyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O3/c17-12(15-11-7-3-4-8-13-11)14-9-5-1-2-6-10(9)16(18)19/h1-8H,(H2,13,14,15,17)
InChIKeyWNEBPFFLUCTUSP-UHFFFAOYSA-N
XLogP2.63
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-Phenyl-N'-2-pyridinylurea
CID 221427
3-Nitropyridin-2-ylamine
CID 77887
5-Nitro-2-piperidinopyridine
CID 97158
5-Nitro-N-phenylpyridin-2-amine
CID 81268
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
2-Benzylamino-5-nitropyridine
CID 261542
2-(2,4-Dinitrophenyl)aminopyridine
CID 2834447
2-Amino-5-nitropyridine
CID 77888
1-(3-Nitropyridin-2-yl)piperidine-4-carboxamide
CID 2805612
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
2-Acetamido-5-nitropyridine
CID 345125
2-N-phenylpyridine-2,3-diamine
CID 10679091

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(2-nitrophenyl)-3-pyridin-2-ylurea (CID 12777399) is 1-(2-nitrophenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(2-nitrophenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(2-nitrophenyl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-3-pyridin-2-ylurea?
The InChIKey is WNEBPFFLUCTUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-12(15-11-7-3-4-8-13-11)14-9-5-1-2-6-10(9)16(18)19/h1-8H,(H2,13,14,15,17).
What are the key properties of 1-(2-nitrophenyl)-3-pyridin-2-ylurea?
1-(2-nitrophenyl)-3-pyridin-2-ylurea has a molecular weight of 258.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 12777399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).