3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one

C19H13N3O3 — CID 51105500

IUPAC3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one
SMILESO=c1c([N+](=O)[O-])cccn1Cc1nc2ccccc2c2ccccc12
InChIInChI=1S/C19H13N3O3/c23-19-18(22(24)25)10-5-11-21(19)12-17-15-8-2-1-6-13(15)14-7-3-4-9-16(14)20-17/h1-11H,12H2
InChIKeyBJLHPNPGAPSKPQ-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.51
Rot. Bonds3

About 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one

3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one (PubChem CID 51105500) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one
PubChem CID51105500
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one
SMILESO=c1c([N+](=O)[O-])cccn1Cc1nc2ccccc2c2ccccc12
InChIInChI=1S/C19H13N3O3/c23-19-18(22(24)25)10-5-11-21(19)12-17-15-8-2-1-6-13(15)14-7-3-4-9-16(14)20-17/h1-11H,12H2
InChIKeyBJLHPNPGAPSKPQ-UHFFFAOYSA-N
XLogP3.51
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-nitro-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 100669210
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
1-[(6-amino-2-pyridinyl)methyl]-3-nitropyridin-2-one
CID 79230769
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3-nitropyridin-2-one
CID 62245985
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
6-[(4-nitrophenyl)methyl]phenanthridine
CID 154722212
3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 55035431
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
1-[(2-chloro-5-nitrophenyl)methyl]-3-nitropyridin-2-one
CID 62101627
4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoic acid
CID 76940851
1-[[5-fluoro-1-(2-methylpropyl)indol-2-yl]methyl]-3-nitropyridin-2-one
CID 146349362
1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-nitropyridin-2-one
CID 62193112

Frequently Asked Questions

What is the IUPAC name of 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one?
The IUPAC name of 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one (CID 51105500) is 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one is O=c1c([N+](=O)[O-])cccn1Cc1nc2ccccc2c2ccccc12.
What is the InChIKey of 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one?
The InChIKey is BJLHPNPGAPSKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-19-18(22(24)25)10-5-11-21(19)12-17-15-8-2-1-6-13(15)14-7-3-4-9-16(14)20-17/h1-11H,12H2.
What are the key properties of 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one?
3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one has a molecular weight of 331.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one is sourced from PubChem (CID 51105500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).