3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide

C13H11BrN2O3 — CID 100626148

IUPAC3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(O)c(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C13H11BrN2O3/c1-19-8-4-5-11(17)10(7-8)16-13(18)12-9(14)3-2-6-15-12/h2-7,17H,1H3,(H,16,18)
InChIKeyBGTBISDDWGEHCO-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.81
Rot. Bonds3

About 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide

3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 100626148) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
PubChem CID100626148
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(O)c(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C13H11BrN2O3/c1-19-8-4-5-11(17)10(7-8)16-13(18)12-9(14)3-2-6-15-12/h2-7,17H,1H3,(H,16,18)
InChIKeyBGTBISDDWGEHCO-UHFFFAOYSA-N
XLogP2.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614444
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 71852534
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
N-(2,5-dibromophenyl)-3-hydroxypyridine-2-carboxamide
CID 54955142
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide (CID 100626148) is 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(O)c(NC(=O)c2ncccc2Br)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is BGTBISDDWGEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-19-8-4-5-11(17)10(7-8)16-13(18)12-9(14)3-2-6-15-12/h2-7,17H,1H3,(H,16,18).
What are the key properties of 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide?
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 323.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 100626148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).