4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C14H8ClF5N2O2 — CID 90441349

IUPAC4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H8ClF5N2O2/c1-4-5(2-3-6(8(4)16)14(18,19)20)11-9(17)10(21)7(15)12(22-11)13(23)24/h2-3H,1H3,(H2,21,22)(H,23,24)
InChIKeyCHVVGSXBHVLSGW-UHFFFAOYSA-N
MW366.67 g/mol
LogP4.29
Rot. Bonds2

About 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 90441349) has the molecular formula C14H8ClF5N2O2 and a molecular weight of 366.67 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID90441349
Molecular FormulaC14H8ClF5N2O2
Molecular Weight366.67 g/mol
Exact Mass366.02
IUPAC Name4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H8ClF5N2O2/c1-4-5(2-3-6(8(4)16)14(18,19)20)11-9(17)10(21)7(15)12(22-11)13(23)24/h2-3H,1H3,(H2,21,22)(H,23,24)
InChIKeyCHVVGSXBHVLSGW-UHFFFAOYSA-N
XLogP4.29
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.67
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6-(4-bromo-2,3-difluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440347
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440357
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroperoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 154956016
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
CID 153350025
4-amino-3-chloro-6-(2,2-difluoro-7-methyl-1,3-benzodioxol-4-yl)-5-fluoropyridine-2-carboxylic acid
CID 123689172
sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride
CID 175389232
4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 90409966
4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
CID 137484719
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 137484739
4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 160915252
4-amino-3-chloro-6-(2,2-difluoro-7-iodo-1,3-benzodioxol-4-yl)-5-fluoropyridine-2-carboxylic acid
CID 90437812

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 90441349) is 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is Cc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(C(F)(F)F)c1F.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is CHVVGSXBHVLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O2/c1-4-5(2-3-6(8(4)16)14(18,19)20)11-9(17)10(21)7(15)12(22-11)13(23)24/h2-3H,1H3,(H2,21,22)(H,23,24).
What are the key properties of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 366.67 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90441349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).