2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide

C13H9F2N3O3 — CID 105381119

IUPAC2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1[N+](=O)[O-])c1ccnc(F)c1F
InChIInChI=1S/C13H9F2N3O3/c14-11-9(5-6-16-12(11)15)13(19)17-7-8-3-1-2-4-10(8)18(20)21/h1-6H,7H2,(H,17,19)
InChIKeyQDEGRGZBDWJOFU-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.20
Rot. Bonds4

About 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide

2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide (PubChem CID 105381119) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
PubChem CID105381119
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1[N+](=O)[O-])c1ccnc(F)c1F
InChIInChI=1S/C13H9F2N3O3/c14-11-9(5-6-16-12(11)15)13(19)17-7-8-3-1-2-4-10(8)18(20)21/h1-6H,7H2,(H,17,19)
InChIKeyQDEGRGZBDWJOFU-UHFFFAOYSA-N
XLogP2.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47290749
4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide
CID 107794442
N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47249635
(2-nitrophenyl)methylcarbamic acid
CID 18621803
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381682
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
CID 115735454
N-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 60979424
4-methylsulfanyl-N-[(2-nitrophenyl)methyl]benzamide
CID 78891109
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide (CID 105381119) is 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccccc1[N+](=O)[O-])c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is QDEGRGZBDWJOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-11-9(5-6-16-12(11)15)13(19)17-7-8-3-1-2-4-10(8)18(20)21/h1-6H,7H2,(H,17,19).
What are the key properties of 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 293.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105381119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).