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

C13H10FN3O3 — CID 62308259

IUPAC2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1
InChIInChI=1S/C13H10FN3O3/c14-12-7-10(4-5-15-12)13(18)16-8-9-2-1-3-11(6-9)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyAMRTVPYGOYXYOY-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.06
Rot. Bonds4

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

2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide (PubChem CID 62308259) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
PubChem CID62308259
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1
InChIInChI=1S/C13H10FN3O3/c14-12-7-10(4-5-15-12)13(18)16-8-9-2-1-3-11(6-9)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyAMRTVPYGOYXYOY-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-nitro(11C)benzamide
CID 71606846
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449
N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 737682
5-iodo-N-[(3-nitrophenyl)methyl]thiophene-3-carboxamide
CID 78948474
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-nitrobenzamide
CID 21361665
6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
CID 62503346
3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110463662
3-nitro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774047

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide (CID 62308259) is 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide is O=C(NCc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is AMRTVPYGOYXYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-12-7-10(4-5-15-12)13(18)16-8-9-2-1-3-11(6-9)17(19)20/h1-7H,8H2,(H,16,18).
What are the key properties of 2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-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-[(3-nitrophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 62308259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).