N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide

C12H7F3N2O — CID 61295443

IUPACN-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccnc(F)c1
InChIInChI=1S/C12H7F3N2O/c13-9-2-1-8(6-10(9)14)17-12(18)7-3-4-16-11(15)5-7/h1-6H,(H,17,18)
InChIKeyLSSRRSPWCTXTMO-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.75
Rot. Bonds2

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

N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide (PubChem CID 61295443) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
PubChem CID61295443
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC NameN-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccnc(F)c1
InChIInChI=1S/C12H7F3N2O/c13-9-2-1-8(6-10(9)14)17-12(18)7-3-4-16-11(15)5-7/h1-6H,(H,17,18)
InChIKeyLSSRRSPWCTXTMO-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
2-fluoro-N-(2-oxo-1,3-dihydroinden-5-yl)pyridine-4-carboxamide
CID 159000528
N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449984
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide (CID 61295443) is N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccnc(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is LSSRRSPWCTXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-9-2-1-8(6-10(9)14)17-12(18)7-3-4-16-11(15)5-7/h1-6H,(H,17,18).
What are the key properties of N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide?
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 252.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61295443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).