N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide

C12H8BrClN2O2 — CID 54861481

IUPACN-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ncccc1O
InChIInChI=1S/C12H8BrClN2O2/c13-7-3-4-9(8(14)6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)
InChIKeyVBPBBIQFLHPJNQ-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.46
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide

N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide (PubChem CID 54861481) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
PubChem CID54861481
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC NameN-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ncccc1O
InChIInChI=1S/C12H8BrClN2O2/c13-7-3-4-9(8(14)6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)
InChIKeyVBPBBIQFLHPJNQ-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-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide (CID 54861481) is N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide is O=C(Nc1ccc(Br)cc1Cl)c1ncccc1O.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
The InChIKey is VBPBBIQFLHPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-7-3-4-9(8(14)6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18).
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide 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-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 54861481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).