6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C13H8BrF3N2O2 — CID 66463651

IUPAC6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)nc1
InChIInChI=1S/C13H8BrF3N2O2/c14-11-5-4-8(7-18-11)12(20)19-9-2-1-3-10(6-9)21-13(15,16)17/h1-7H,(H,19,20)
InChIKeyKUUSZYMNAQZWLZ-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.99
Rot. Bonds3

About 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 66463651) has the molecular formula C13H8BrF3N2O2 and a molecular weight of 361.12 g/mol. Its IUPAC name is 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID66463651
Molecular FormulaC13H8BrF3N2O2
Molecular Weight361.12 g/mol
Exact Mass359.97
IUPAC Name6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)nc1
InChIInChI=1S/C13H8BrF3N2O2/c14-11-5-4-8(7-18-11)12(20)19-9-2-1-3-10(6-9)21-13(15,16)17/h1-7H,(H,19,20)
InChIKeyKUUSZYMNAQZWLZ-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 66463651) is 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is KUUSZYMNAQZWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O2/c14-11-5-4-8(7-18-11)12(20)19-9-2-1-3-10(6-9)21-13(15,16)17/h1-7H,(H,19,20).
What are the key properties of 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 361.12 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66463651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).