6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid

C12H5BrClF2NO3 — CID 107097920

IUPAC6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2cc(Br)cc(F)c2F)ccc1Cl
InChIInChI=1S/C12H5BrClF2NO3/c13-5-3-7(15)10(16)8(4-5)20-9-2-1-6(14)11(17-9)12(18)19/h1-4H,(H,18,19)
InChIKeyQZNLPBSZTLVQDA-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.27
Rot. Bonds3

About 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid

6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid (PubChem CID 107097920) has the molecular formula C12H5BrClF2NO3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
PubChem CID107097920
Molecular FormulaC12H5BrClF2NO3
Molecular Weight364.53 g/mol
Exact Mass362.91
IUPAC Name6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Oc2cc(Br)cc(F)c2F)ccc1Cl
InChIInChI=1S/C12H5BrClF2NO3/c13-5-3-7(15)10(16)8(4-5)20-9-2-1-6(14)11(17-9)12(18)19/h1-4H,(H,18,19)
InChIKeyQZNLPBSZTLVQDA-UHFFFAOYSA-N
XLogP4.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
CID 107099173
3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 29033059
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
CID 107099317
3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61030638
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
6-(2,4-dichlorophenoxy)-3-methylpyridine-2-carboxylic acid
CID 70146430
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107100385
3-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 81342000

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid (CID 107097920) is 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid is O=C(O)c1nc(Oc2cc(Br)cc(F)c2F)ccc1Cl.
What is the InChIKey of 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid?
The InChIKey is QZNLPBSZTLVQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClF2NO3/c13-5-3-7(15)10(16)8(4-5)20-9-2-1-6(14)11(17-9)12(18)19/h1-4H,(H,18,19).
What are the key properties of 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid?
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid has a molecular weight of 364.53 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 107097920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).