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

C13H10FN3O3 — CID 107358761

IUPAC2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cccnc1F
InChIInChI=1S/C13H10FN3O3/c14-12-11(2-1-7-15-12)13(18)16-8-9-3-5-10(6-4-9)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyJBEZIRUGBREEDA-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.06
Rot. Bonds4

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

2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide (PubChem CID 107358761) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
PubChem CID107358761
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cccnc1F
InChIInChI=1S/C13H10FN3O3/c14-12-11(2-1-7-15-12)13(18)16-8-9-3-5-10(6-4-9)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyJBEZIRUGBREEDA-UHFFFAOYSA-N
XLogP2.06
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.06
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

2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
N-benzyl-2-nitropyridine-3-carboxamide
CID 19034724
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 107358701
4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 81225012
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71888436
methyl 2,3-dihydroxy-4-[(4-nitrophenyl)methylcarbamoyl]benzoate
CID 25026688
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide (CID 107358761) is 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JBEZIRUGBREEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-12-11(2-1-7-15-12)13(18)16-8-9-3-5-10(6-4-9)17(19)20/h1-7H,8H2,(H,16,18).
What are the key properties of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide?
2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 275.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).