N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide

C13H9F3N2O — CID 107363072

IUPACN-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cccnc1F
InChIInChI=1S/C13H9F3N2O/c14-9-3-4-11(15)8(6-9)7-18-13(19)10-2-1-5-17-12(10)16/h1-6H,7H2,(H,18,19)
InChIKeyFXGMFJUGYBMRMW-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.43
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide

N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide (PubChem CID 107363072) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
PubChem CID107363072
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cccnc1F
InChIInChI=1S/C13H9F3N2O/c14-9-3-4-11(15)8(6-9)7-18-13(19)10-2-1-5-17-12(10)16/h1-6H,7H2,(H,18,19)
InChIKeyFXGMFJUGYBMRMW-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-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

2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide (CID 107363072) is N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide is O=C(NCc1cc(F)ccc1F)c1cccnc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is FXGMFJUGYBMRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-9-3-4-11(15)8(6-9)7-18-13(19)10-2-1-5-17-12(10)16/h1-6H,7H2,(H,18,19).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107363072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).