2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide

C9H4F2N4O3S — CID 105380941

IUPAC2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccnc(F)c1F
InChIInChI=1S/C9H4F2N4O3S/c10-6-4(1-2-12-7(6)11)8(16)14-9-13-3-5(19-9)15(17)18/h1-3H,(H,13,14,16)
InChIKeyMWXWFACGTDIAJL-UHFFFAOYSA-N
MW286.22 g/mol
LogP1.98
Rot. Bonds3

About 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide

2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 105380941) has the molecular formula C9H4F2N4O3S and a molecular weight of 286.22 g/mol. Its IUPAC name is 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID105380941
Molecular FormulaC9H4F2N4O3S
Molecular Weight286.22 g/mol
Exact Mass286.00
IUPAC Name2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccnc(F)c1F
InChIInChI=1S/C9H4F2N4O3S/c10-6-4(1-2-12-7(6)11)8(16)14-9-13-3-5(19-9)15(17)18/h1-3H,(H,13,14,16)
InChIKeyMWXWFACGTDIAJL-UHFFFAOYSA-N
XLogP1.98
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 175919780
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 11587226
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 45086935
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
CID 107743968
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 105380941) is 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is MWXWFACGTDIAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N4O3S/c10-6-4(1-2-12-7(6)11)8(16)14-9-13-3-5(19-9)15(17)18/h1-3H,(H,13,14,16).
What are the key properties of 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide?
2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 286.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105380941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).