5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid

C12H3F6NO2 — CID 133088713

IUPAC5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1
InChIInChI=1S/C12H3F6NO2/c13-4-1-3(12(20)21)2-19-11(4)5-6(14)8(16)10(18)9(17)7(5)15/h1-2H,(H,20,21)
InChIKeyNGTQUWCFQPQEGF-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.28
Rot. Bonds2

About 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid

5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid (PubChem CID 133088713) has the molecular formula C12H3F6NO2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
PubChem CID133088713
Molecular FormulaC12H3F6NO2
Molecular Weight307.15 g/mol
Exact Mass307.01
IUPAC Name5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1
InChIInChI=1S/C12H3F6NO2/c13-4-1-3(12(20)21)2-19-11(4)5-6(14)8(16)10(18)9(17)7(5)15/h1-2H,(H,20,21)
InChIKeyNGTQUWCFQPQEGF-UHFFFAOYSA-N
XLogP3.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-fluoropyridine-3-carboxylic acid
CID 11513841
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261
6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 82119054
5-fluoro-6-propylpyridine-3-carboxylic acid
CID 145419429
5-(2,3,4,5,6-pentafluorophenyl)benzene-1,3-dicarboxylic acid
CID 177395846
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
CID 171697581
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 133086684
ethane;2-ethylpyridine-4-carboxylic acid;5-fluoro-6-methylpyridine-3-carboxylic acid
CID 145419435
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid (CID 133088713) is 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1.
What is the InChIKey of 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is NGTQUWCFQPQEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F6NO2/c13-4-1-3(12(20)21)2-19-11(4)5-6(14)8(16)10(18)9(17)7(5)15/h1-2H,(H,20,21).
What are the key properties of 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid?
5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 307.15 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 133088713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).