4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid

C16H16F2N2O3 — CID 137384098

IUPAC4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc(-c2ccc(C)c(OC)c2F)c(F)c1N
InChIInChI=1S/C16H16F2N2O3/c1-4-8-12(19)11(18)13(20-14(8)16(21)22)9-6-5-7(2)15(23-3)10(9)17/h5-6H,4H2,1-3H3,(H2,19,20)(H,21,22)
InChIKeyMUTRFIIUDQVBLJ-UHFFFAOYSA-N
MW322.31 g/mol
LogP3.19
Rot. Bonds4

About 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid

4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 137384098) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
PubChem CID137384098
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc(-c2ccc(C)c(OC)c2F)c(F)c1N
InChIInChI=1S/C16H16F2N2O3/c1-4-8-12(19)11(18)13(20-14(8)16(21)22)9-6-5-7(2)15(23-3)10(9)17/h5-6H,4H2,1-3H3,(H2,19,20)(H,21,22)
InChIKeyMUTRFIIUDQVBLJ-UHFFFAOYSA-N
XLogP3.19
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
CID 155064884
methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
CID 123699604
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroperoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 154956016
4-amino-3-chloro-6-(2,2-difluoro-7-methyl-1,3-benzodioxol-4-yl)-5-fluoropyridine-2-carboxylic acid
CID 123689172
methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
CID 175232153
4-amino-6-(2,5-difluoro-4-iodophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
CID 71175280
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
CID 153350025
methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate
CID 147624077
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide
CID 59471260
4-amino-6-(4-bromo-2,3-difluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440347
4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
CID 71175273
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid (CID 137384098) is 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid is CCc1c(C(=O)O)nc(-c2ccc(C)c(OC)c2F)c(F)c1N.
What is the InChIKey of 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is MUTRFIIUDQVBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c1-4-8-12(19)11(18)13(20-14(8)16(21)22)9-6-5-7(2)15(23-3)10(9)17/h5-6H,4H2,1-3H3,(H2,19,20)(H,21,22).
What are the key properties of 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 322.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-5-fluoro-6-(2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 137384098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).