N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide

C13H9F3N2O — CID 115645752

IUPACN-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccncc1F
InChIInChI=1S/C13H9F3N2O/c14-9-2-1-8(11(15)5-9)6-18-13(19)10-3-4-17-7-12(10)16/h1-5,7H,6H2,(H,18,19)
InChIKeyXXBHCDSPBUMVKB-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.43
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 115645752) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
PubChem CID115645752
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccncc1F
InChIInChI=1S/C13H9F3N2O/c14-9-2-1-8(11(15)5-9)6-18-13(19)10-3-4-17-7-12(10)16/h1-5,7H,6H2,(H,18,19)
InChIKeyXXBHCDSPBUMVKB-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

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide (CID 115645752) is N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide is O=C(NCc1ccc(F)cc1F)c1ccncc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is XXBHCDSPBUMVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-9-2-1-8(11(15)5-9)6-18-13(19)10-3-4-17-7-12(10)16/h1-5,7H,6H2,(H,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-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-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).