2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide

C12H7ClFN3O3 — CID 107334861

IUPAC2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccnc1Cl
InChIInChI=1S/C12H7ClFN3O3/c13-11-10(2-1-3-15-11)12(18)16-8-4-7(14)5-9(6-8)17(19)20/h1-6H,(H,16,18)
InChIKeySLUYUZCMWUUQSZ-UHFFFAOYSA-N
MW295.66 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide

2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide (PubChem CID 107334861) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
PubChem CID107334861
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC Name2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccnc1Cl
InChIInChI=1S/C12H7ClFN3O3/c13-11-10(2-1-3-15-11)12(18)16-8-4-7(14)5-9(6-8)17(19)20/h1-6H,(H,16,18)
InChIKeySLUYUZCMWUUQSZ-UHFFFAOYSA-N
XLogP3.03
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide (CID 107334861) is 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is SLUYUZCMWUUQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c13-11-10(2-1-3-15-11)12(18)16-8-4-7(14)5-9(6-8)17(19)20/h1-6H,(H,16,18).
What are the key properties of 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 295.66 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107334861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).