2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide

C14H12ClN3O4 — CID 2851881

IUPAC2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O4/c1-2-22-9-5-6-11(12(8-9)18(20)21)17-14(19)10-4-3-7-16-13(10)15/h3-8H,2H2,1H3,(H,17,19)
InChIKeyUINVRURAUUPYSF-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide

2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 2851881) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID2851881
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O4/c1-2-22-9-5-6-11(12(8-9)18(20)21)17-14(19)10-4-3-7-16-13(10)15/h3-8H,2H2,1H3,(H,17,19)
InChIKeyUINVRURAUUPYSF-UHFFFAOYSA-N
XLogP3.29
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide (CID 2851881) is 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is UINVRURAUUPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-2-22-9-5-6-11(12(8-9)18(20)21)17-14(19)10-4-3-7-16-13(10)15/h3-8H,2H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 321.72 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2851881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).