N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide

C13H8BrF3N2O2 — CID 65490043

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cncc(O)c1
InChIInChI=1S/C13H8BrF3N2O2/c14-9-2-8(13(15,16)17)3-10(4-9)19-12(21)7-1-11(20)6-18-5-7/h1-6,20H,(H,19,21)
InChIKeyXFCMIFQNZBKAKX-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.82
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 65490043) has the molecular formula C13H8BrF3N2O2 and a molecular weight of 361.12 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide
PubChem CID65490043
Molecular FormulaC13H8BrF3N2O2
Molecular Weight361.12 g/mol
Exact Mass359.97
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cncc(O)c1
InChIInChI=1S/C13H8BrF3N2O2/c14-9-2-8(13(15,16)17)3-10(4-9)19-12(21)7-1-11(20)6-18-5-7/h1-6,20H,(H,19,21)
InChIKeyXFCMIFQNZBKAKX-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 82884651
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
N-(4-aminophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851550
3-[3-bromo-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898660
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
CID 87748784

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide (CID 65490043) is N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide is O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cncc(O)c1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is XFCMIFQNZBKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O2/c14-9-2-8(13(15,16)17)3-10(4-9)19-12(21)7-1-11(20)6-18-5-7/h1-6,20H,(H,19,21).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 361.12 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 65490043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).