2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C19H13BrF3N3O2 — CID 23632906

IUPAC2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccccc1Br
InChIInChI=1S/C19H13BrF3N3O2/c20-15-5-1-2-6-16(15)26-17-14(4-3-11-24-17)18(27)25-12-7-9-13(10-8-12)28-19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyTYPDDXMFDSCZJL-UHFFFAOYSA-N
MW452.23 g/mol
LogP5.74
Rot. Bonds5

About 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 23632906) has the molecular formula C19H13BrF3N3O2 and a molecular weight of 452.23 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID23632906
Molecular FormulaC19H13BrF3N3O2
Molecular Weight452.23 g/mol
Exact Mass451.01
IUPAC Name2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccccc1Br
InChIInChI=1S/C19H13BrF3N3O2/c20-15-5-1-2-6-16(15)26-17-14(4-3-11-24-17)18(27)25-12-7-9-13(10-8-12)28-19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyTYPDDXMFDSCZJL-UHFFFAOYSA-N
XLogP5.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.23
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
2-(cyclohexylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632911
N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
CID 23632783
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 23632906) is 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is TYPDDXMFDSCZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N3O2/c20-15-5-1-2-6-16(15)26-17-14(4-3-11-24-17)18(27)25-12-7-9-13(10-8-12)28-19(21,22)23/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 452.23 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23632906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).