4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

C13H8BrF3N2O2 — CID 103957726

IUPAC4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H8BrF3N2O2/c14-9-3-1-7(5-10(9)20)12(21)19-8-2-4-11(18-6-8)13(15,16)17/h1-6,20H,(H,19,21)
InChIKeyIVYCQNFBKSIRBO-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.82
Rot. Bonds2

About 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 103957726) has the molecular formula C13H8BrF3N2O2 and a molecular weight of 361.12 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID103957726
Molecular FormulaC13H8BrF3N2O2
Molecular Weight361.12 g/mol
Exact Mass359.97
IUPAC Name4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H8BrF3N2O2/c14-9-3-1-7(5-10(9)20)12(21)19-8-2-4-11(18-6-8)13(15,16)17/h1-6,20H,(H,19,21)
InChIKeyIVYCQNFBKSIRBO-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

4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212260
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (CID 103957726) is 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is IVYCQNFBKSIRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O2/c14-9-3-1-7(5-10(9)20)12(21)19-8-2-4-11(18-6-8)13(15,16)17/h1-6,20H,(H,19,21).
What are the key properties of 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide 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 4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 103957726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).