4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide

C12H8BrClN2O2 — CID 103957116

IUPAC4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide
SMILESO=C(Nc1cnccc1Cl)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H8BrClN2O2/c13-8-2-1-7(5-11(8)17)12(18)16-10-6-15-4-3-9(10)14/h1-6,17H,(H,16,18)
InChIKeyADLKNTNFEXVZLH-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.46
Rot. Bonds2

About 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide

4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide (PubChem CID 103957116) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide
PubChem CID103957116
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide
SMILESO=C(Nc1cnccc1Cl)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H8BrClN2O2/c13-8-2-1-7(5-11(8)17)12(18)16-10-6-15-4-3-9(10)14/h1-6,17H,(H,16,18)
InChIKeyADLKNTNFEXVZLH-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
4-bromo-N-(4-chloro-2-pyridinyl)-3-hydroxybenzamide
CID 103830593
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
CID 112548050
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
CID 83167499
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide (CID 103957116) is 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide is O=C(Nc1cnccc1Cl)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide?
The InChIKey is ADLKNTNFEXVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-8-2-1-7(5-11(8)17)12(18)16-10-6-15-4-3-9(10)14/h1-6,17H,(H,16,18).
What are the key properties of 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide?
4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide has a molecular weight of 327.57 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide is sourced from PubChem (CID 103957116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).