3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide

C12H9FN4O3 — CID 71849348

IUPAC3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccncc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9FN4O3/c1-7-10(17(19)20)2-3-11(15-7)16-12(18)8-4-5-14-6-9(8)13/h2-6H,1H3,(H,15,16,18)
InChIKeyMDLNCANNDVEPAB-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.08
Rot. Bonds3

About 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide

3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 71849348) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
PubChem CID71849348
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccncc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9FN4O3/c1-7-10(17(19)20)2-3-11(15-7)16-12(18)8-4-5-14-6-9(8)13/h2-6H,1H3,(H,15,16,18)
InChIKeyMDLNCANNDVEPAB-UHFFFAOYSA-N
XLogP2.08
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
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'}

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Related Compounds

3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
CID 105066539
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066534
5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
CID 75513075
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
3-fluoro-N-(6-propan-2-ylpyrazin-2-yl)pyridine-4-carboxamide
CID 146357330
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide (CID 71849348) is 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide is Cc1nc(NC(=O)c2ccncc2F)ccc1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is MDLNCANNDVEPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c1-7-10(17(19)20)2-3-11(15-7)16-12(18)8-4-5-14-6-9(8)13/h2-6H,1H3,(H,15,16,18).
What are the key properties of 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide?
3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide has a molecular weight of 276.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 71849348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).