N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide

C12H8BrClN2O2 — CID 28831575

IUPACN-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H8BrClN2O2/c13-8-2-4-11(15-6-8)16-12(18)7-1-3-10(17)9(14)5-7/h1-6,17H,(H,15,16,18)
InChIKeySEHBVFJVKIRLRU-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.46
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide

N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide (PubChem CID 28831575) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide
PubChem CID28831575
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC NameN-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H8BrClN2O2/c13-8-2-4-11(15-6-8)16-12(18)7-1-3-10(17)9(14)5-7/h1-6,17H,(H,15,16,18)
InChIKeySEHBVFJVKIRLRU-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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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide (CID 28831575) is N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide is O=C(Nc1ccc(Br)cn1)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide?
The InChIKey is SEHBVFJVKIRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-8-2-4-11(15-6-8)16-12(18)7-1-3-10(17)9(14)5-7/h1-6,17H,(H,15,16,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide?
N-(5-bromo-2-pyridinyl)-3-chloro-4-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 N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 28831575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).