N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide

C12H7BrF2N2O2 — CID 102854033

IUPACN-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1ccncc1O
InChIInChI=1S/C12H7BrF2N2O2/c13-7-3-10(9(15)4-8(7)14)17-12(19)6-1-2-16-5-11(6)18/h1-5,18H,(H,17,19)
InChIKeyQITZWISTHUXGOV-UHFFFAOYSA-N
MW329.10 g/mol
LogP3.08
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide

N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 102854033) has the molecular formula C12H7BrF2N2O2 and a molecular weight of 329.10 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
PubChem CID102854033
Molecular FormulaC12H7BrF2N2O2
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1ccncc1O
InChIInChI=1S/C12H7BrF2N2O2/c13-7-3-10(9(15)4-8(7)14)17-12(19)6-1-2-16-5-11(6)18/h1-5,18H,(H,17,19)
InChIKeyQITZWISTHUXGOV-UHFFFAOYSA-N
XLogP3.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
N-(2,4-dibromophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442512
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
CID 102854031
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 102854918
N-(3,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442995
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide (CID 102854033) is N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide is O=C(Nc1cc(Br)c(F)cc1F)c1ccncc1O.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is QITZWISTHUXGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O2/c13-7-3-10(9(15)4-8(7)14)17-12(19)6-1-2-16-5-11(6)18/h1-5,18H,(H,17,19).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide?
N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 329.10 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 102854033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).