N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C13H8BrF3N2O — CID 23149635

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccncc1
InChIInChI=1S/C13H8BrF3N2O/c14-10-2-1-9(13(15,16)17)7-11(10)19-12(20)8-3-5-18-6-4-8/h1-7H,(H,19,20)
InChIKeySYXXNEICYFNACR-UHFFFAOYSA-N
MW345.12 g/mol
LogP4.12
Rot. Bonds2

About N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 23149635) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID23149635
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccncc1
InChIInChI=1S/C13H8BrF3N2O/c14-10-2-1-9(13(15,16)17)7-11(10)19-12(20)8-3-5-18-6-4-8/h1-7H,(H,19,20)
InChIKeySYXXNEICYFNACR-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 23149635) is N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccncc1.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is SYXXNEICYFNACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-10-2-1-9(13(15,16)17)7-11(10)19-12(20)8-3-5-18-6-4-8/h1-7H,(H,19,20).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 345.12 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 23149635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).