N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide

C13H8BrF3N2O2 — CID 79041376

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCc1nc(NC(=O)c2cc(F)c(F)c(O)c2F)ccc1Br
InChIInChI=1S/C13H8BrF3N2O2/c1-5-7(14)2-3-9(18-5)19-13(21)6-4-8(15)11(17)12(20)10(6)16/h2-4,20H,1H3,(H,18,19,21)
InChIKeyQBJYRZPKQQFPJD-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.53
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 79041376) has the molecular formula C13H8BrF3N2O2 and a molecular weight of 361.12 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID79041376
Molecular FormulaC13H8BrF3N2O2
Molecular Weight361.12 g/mol
Exact Mass359.97
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCc1nc(NC(=O)c2cc(F)c(F)c(O)c2F)ccc1Br
InChIInChI=1S/C13H8BrF3N2O2/c1-5-7(14)2-3-9(18-5)19-13(21)6-4-8(15)11(17)12(20)10(6)16/h2-4,20H,1H3,(H,18,19,21)
InChIKeyQBJYRZPKQQFPJD-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 79041372
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 25239366
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245835
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydroxy-4-methoxybenzamide
CID 79048960
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 79041376) is N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide is Cc1nc(NC(=O)c2cc(F)c(F)c(O)c2F)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is QBJYRZPKQQFPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O2/c1-5-7(14)2-3-9(18-5)19-13(21)6-4-8(15)11(17)12(20)10(6)16/h2-4,20H,1H3,(H,18,19,21).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 361.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 79041376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).