N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C14H10ClF3N2O2 — CID 21203373

IUPACN-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)C(F)Cl)cc1)c1cccnc1
InChIInChI=1S/C14H10ClF3N2O2/c15-13(16)14(17,18)22-11-5-3-10(4-6-11)20-12(21)9-2-1-7-19-8-9/h1-8,13H,(H,20,21)
InChIKeyUIKWEJONDWVKNX-UHFFFAOYSA-N
MW330.69 g/mol
LogP3.84
Rot. Bonds5

About N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 21203373) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID21203373
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC NameN-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)C(F)Cl)cc1)c1cccnc1
InChIInChI=1S/C14H10ClF3N2O2/c15-13(16)14(17,18)22-11-5-3-10(4-6-11)20-12(21)9-2-1-7-19-8-9/h1-8,13H,(H,20,21)
InChIKeyUIKWEJONDWVKNX-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 28946954
N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide
CID 154193724
2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 75539634
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-[2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055604
N-[3-chloro-4-(4-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695915

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 21203373) is N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)C(F)Cl)cc1)c1cccnc1.
What is the InChIKey of N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is UIKWEJONDWVKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c15-13(16)14(17,18)22-11-5-3-10(4-6-11)20-12(21)9-2-1-7-19-8-9/h1-8,13H,(H,20,21).
What are the key properties of N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 330.69 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 21203373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).