N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide

C13H10BrClN2O2 — CID 71978991

IUPACN-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C13H10BrClN2O2/c14-10-5-9(15)6-11(13(10)19)17-12(18)4-8-2-1-3-16-7-8/h1-3,5-7,19H,4H2,(H,17,18)
InChIKeyKTHZVSUFBPTEBT-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.38
Rot. Bonds3

About N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide

N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide (PubChem CID 71978991) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide
PubChem CID71978991
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC NameN-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C13H10BrClN2O2/c14-10-5-9(15)6-11(13(10)19)17-12(18)4-8-2-1-3-16-7-8/h1-3,5-7,19H,4H2,(H,17,18)
InChIKeyKTHZVSUFBPTEBT-UHFFFAOYSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(3-chlorophenyl)acetamide
CID 22618247
N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62691044
N-(5-chloropyrazin-2-yl)-2-pyridin-3-ylacetamide
CID 107595873
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride
CID 116814254
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
dimethyl 2-[(2-pyridin-3-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 110697209
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 727974

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide (CID 71978991) is N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1cc(Cl)cc(Br)c1O.
What is the InChIKey of N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide?
The InChIKey is KTHZVSUFBPTEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-10-5-9(15)6-11(13(10)19)17-12(18)4-8-2-1-3-16-7-8/h1-3,5-7,19H,4H2,(H,17,18).
What are the key properties of N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide?
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide has a molecular weight of 341.59 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 71978991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).