2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide

C13H10FN3O3 — CID 22467360

IUPAC2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H10FN3O3/c14-12-5-4-10(17(19)20)7-11(12)13(18)16-8-9-3-1-2-6-15-9/h1-7H,8H2,(H,16,18)
InChIKeyXIXZVLXPTQPELN-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.06
Rot. Bonds4

About 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide

2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 22467360) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID22467360
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H10FN3O3/c14-12-5-4-10(17(19)20)7-11(12)13(18)16-8-9-3-1-2-6-15-9/h1-7H,8H2,(H,16,18)
InChIKeyXIXZVLXPTQPELN-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
2-fluoro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64529688
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide
CID 43524403
2-fluoro-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63823726
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 36714081
3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 115548346
2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61053649
2-fluoro-N-[(4-methylsulfanylphenyl)methyl]-5-nitrobenzamide
CID 22467430

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 22467360) is 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is XIXZVLXPTQPELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-12-5-4-10(17(19)20)7-11(12)13(18)16-8-9-3-1-2-6-15-9/h1-7H,8H2,(H,16,18).
What are the key properties of 2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide 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-5-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 22467360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).