6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate

C13H7F3NO2- — CID 86670160

IUPAC6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate
SMILESCc1cc(F)c(-c2nc(C(=O)[O-])ccc2F)c(F)c1
InChIInChI=1S/C13H8F3NO2/c1-6-4-8(15)11(9(16)5-6)12-7(14)2-3-10(17-12)13(18)19/h2-5H,1H3,(H,18,19)/p-1
InChIKeyKJAHGBLVAVLPQF-UHFFFAOYSA-M
MW266.20 g/mol
LogP1.84
Rot. Bonds2

About 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate

6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 86670160) has the molecular formula C13H7F3NO2- and a molecular weight of 266.20 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate
PubChem CID86670160
Molecular FormulaC13H7F3NO2-
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Name6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate
SMILESCc1cc(F)c(-c2nc(C(=O)[O-])ccc2F)c(F)c1
InChIInChI=1S/C13H8F3NO2/c1-6-4-8(15)11(9(16)5-6)12-7(14)2-3-10(17-12)13(18)19/h2-5H,1H3,(H,18,19)/p-1
InChIKeyKJAHGBLVAVLPQF-UHFFFAOYSA-M
XLogP1.84
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid
CID 70654818
2,6-difluoro-4-methylbenzoate
CID 86307703
6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 151709379
6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 67208142
methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 70655100
6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid
CID 70654787
methyl 6-[2,6-difluoro-4-(4-fluorooxan-4-yl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654920
methyl 6-[2,6-difluoro-3-(2-oxopropyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 160623655
methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485
methyl N-[(3R,4S,5S)-3-amino-1-[3-[2-[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]-2-oxoethyl]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 158869846
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate (CID 86670160) is 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate is Cc1cc(F)c(-c2nc(C(=O)[O-])ccc2F)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is KJAHGBLVAVLPQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8F3NO2/c1-6-4-8(15)11(9(16)5-6)12-7(14)2-3-10(17-12)13(18)19/h2-5H,1H3,(H,18,19)/p-1.
What are the key properties of 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate?
6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 266.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 86670160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).