N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide

C13H7ClF4N2O — CID 61295455

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccnc(F)c1
InChIInChI=1S/C13H7ClF4N2O/c14-10-2-1-8(6-9(10)13(16,17)18)20-12(21)7-3-4-19-11(15)5-7/h1-6H,(H,20,21)
InChIKeyXWFSWNKPPCAHQC-UHFFFAOYSA-N
MW318.66 g/mol
LogP4.15
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide (PubChem CID 61295455) has the molecular formula C13H7ClF4N2O and a molecular weight of 318.66 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
PubChem CID61295455
Molecular FormulaC13H7ClF4N2O
Molecular Weight318.66 g/mol
Exact Mass318.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccnc(F)c1
InChIInChI=1S/C13H7ClF4N2O/c14-10-2-1-8(6-9(10)13(16,17)18)20-12(21)7-3-4-19-11(15)5-7/h1-6H,(H,20,21)
InChIKeyXWFSWNKPPCAHQC-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.66
LogP ≤ 54.15
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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166248
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079916
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167633
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide (CID 61295455) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccnc(F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is XWFSWNKPPCAHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O/c14-10-2-1-8(6-9(10)13(16,17)18)20-12(21)7-3-4-19-11(15)5-7/h1-6H,(H,20,21).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 318.66 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61295455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).