4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C18H10N4O5 — CID 19656735

IUPAC4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc([N+](=O)[O-])c2)[nH]c1=O
InChIInChI=1S/C18H10N4O5/c19-10-16-15(11-3-1-5-13(7-11)21(24)25)9-17(20-18(16)23)12-4-2-6-14(8-12)22(26)27/h1-9H,(H,20,23)
InChIKeyOZLCJIHFXLTPHH-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.40
Rot. Bonds4

About 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile

4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656735) has the molecular formula C18H10N4O5 and a molecular weight of 362.30 g/mol. Its IUPAC name is 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656735
Molecular FormulaC18H10N4O5
Molecular Weight362.30 g/mol
Exact Mass362.07
IUPAC Name4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc([N+](=O)[O-])c2)[nH]c1=O
InChIInChI=1S/C18H10N4O5/c19-10-16-15(11-3-1-5-13(7-11)21(24)25)9-17(20-18(16)23)12-4-2-6-14(8-12)22(26)27/h1-9H,(H,20,23)
InChIKeyOZLCJIHFXLTPHH-UHFFFAOYSA-N
XLogP3.40
TPSA142.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-(1H-indol-3-yl)-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 176508336
5,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139215856
4-(4-nitrophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19656741
2-[6-(3-nitrophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82517135
4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656503
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
1-[4-[5-cyano-4-(4-nitrophenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-3-phenylurea
CID 177377171
6-(4-nitrophenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
CID 19656837
5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
CID 102369150
2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 16790602

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656735) is 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc([N+](=O)[O-])c2)[nH]c1=O.
What is the InChIKey of 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is OZLCJIHFXLTPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O5/c19-10-16-15(11-3-1-5-13(7-11)21(24)25)9-17(20-18(16)23)12-4-2-6-14(8-12)22(26)27/h1-9H,(H,20,23).
What are the key properties of 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 362.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).