2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide

C13H9F2N3O3 — CID 104699464

IUPAC2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C13H9F2N3O3/c1-7-2-3-8(6-16-7)17-13(19)9-4-11(15)12(18(20)21)5-10(9)14/h2-6H,1H3,(H,17,19)
InChIKeyVIOOTAQUXCYVKG-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.83
Rot. Bonds3

About 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide

2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide (PubChem CID 104699464) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
PubChem CID104699464
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C13H9F2N3O3/c1-7-2-3-8(6-16-7)17-13(19)9-4-11(15)12(18(20)21)5-10(9)14/h2-6H,1H3,(H,17,19)
InChIKeyVIOOTAQUXCYVKG-UHFFFAOYSA-N
XLogP2.83
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
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

2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
CID 115751900
2-amino-6-fluoro-N-(6-methyl-3-pyridinyl)-3-nitrobenzamide
CID 107123277
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115750799
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397
2,5-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 104705209
N-(1,3-dimethylpyrazol-4-yl)-2,5-difluoro-4-nitrobenzamide
CID 104705201
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide (CID 104699464) is 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide is Cc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cn1.
What is the InChIKey of 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
The InChIKey is VIOOTAQUXCYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c1-7-2-3-8(6-16-7)17-13(19)9-4-11(15)12(18(20)21)5-10(9)14/h2-6H,1H3,(H,17,19).
What are the key properties of 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide has a molecular weight of 293.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 104699464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).