3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide

C13H10FN3O3 — CID 105066539

IUPAC3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3/c1-8-2-3-11(12(6-8)17(19)20)16-13(18)9-4-5-15-7-10(9)14/h2-7H,1H3,(H,16,18)
InChIKeyXAXIMFGZDNORMD-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.69
Rot. Bonds3

About 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide

3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide (PubChem CID 105066539) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
PubChem CID105066539
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3/c1-8-2-3-11(12(6-8)17(19)20)16-13(18)9-4-5-15-7-10(9)14/h2-7H,1H3,(H,16,18)
InChIKeyXAXIMFGZDNORMD-UHFFFAOYSA-N
XLogP2.69
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.69
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

N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066534
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
CID 71849348
4-cyano-2-fluoro-N-(4-methyl-2-nitrophenyl)benzamide
CID 17102128
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
CID 63328476
N-(4-methyl-2-nitrophenyl)-2-methylsulfanylbenzamide
CID 8795558
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
2,5-difluoro-N-(3-fluoro-4-pyridinyl)-3-nitrobenzamide
CID 107594868
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide (CID 105066539) is 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccncc2F)c([N+](=O)[O-])c1.
What is the InChIKey of 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is XAXIMFGZDNORMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-8-2-3-11(12(6-8)17(19)20)16-13(18)9-4-5-15-7-10(9)14/h2-7H,1H3,(H,16,18).
What are the key properties of 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide?
3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 275.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105066539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).