N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide

C12H7ClFN3O3 — CID 105066534

IUPACN-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F
InChIInChI=1S/C12H7ClFN3O3/c13-7-1-2-10(11(5-7)17(19)20)16-12(18)8-3-4-15-6-9(8)14/h1-6H,(H,16,18)
InChIKeyIUTILCVLAGHTPL-UHFFFAOYSA-N
MW295.66 g/mol
LogP3.03
Rot. Bonds3

About N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide

N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105066534) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID105066534
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC NameN-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F
InChIInChI=1S/C12H7ClFN3O3/c13-7-1-2-10(11(5-7)17(19)20)16-12(18)8-3-4-15-6-9(8)14/h1-6H,(H,16,18)
InChIKeyIUTILCVLAGHTPL-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': '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
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
5-bromo-N-(4-chloro-2-nitrophenyl)pyridine-3-carboxamide
CID 60651825
2,5-difluoro-N-(3-fluoro-4-pyridinyl)-3-nitrobenzamide
CID 107594868
3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
CID 71849348
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide (CID 105066534) is N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is IUTILCVLAGHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c13-7-1-2-10(11(5-7)17(19)20)16-12(18)8-3-4-15-6-9(8)14/h1-6H,(H,16,18).
What are the key properties of N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide?
N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-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 N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105066534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).