2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid

C20H16F2N2O3 — CID 24986825

IUPAC2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H16F2N2O3/c1-2-27-14-6-3-5-12(9-14)13-10-16(21)18(17(22)11-13)24-19-15(20(25)26)7-4-8-23-19/h3-11H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyHHVLQUSSFINJKS-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.87
Rot. Bonds6

About 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid

2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (PubChem CID 24986825) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
PubChem CID24986825
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H16F2N2O3/c1-2-27-14-6-3-5-12(9-14)13-10-16(21)18(17(22)11-13)24-19-15(20(25)26)7-4-8-23-19/h3-11H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyHHVLQUSSFINJKS-UHFFFAOYSA-N
XLogP4.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24986824
CID 24986824
CID 11340230
CID 11340230
CID 25006094
CID 25006094
CID 73775427
CID 73775427
CID 11751490
CID 11751490
CID 748369
CID 748369
CID 2608786
CID 2608786
CID 10274114
CID 10274114
CID 11188508
CID 11188508
CID 11270610
CID 11270610
CID 11294219
CID 11294219
CID 11363673
CID 11363673

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (CID 24986825) is 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is CCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The InChIKey is HHVLQUSSFINJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-2-27-14-6-3-5-12(9-14)13-10-16(21)18(17(22)11-13)24-19-15(20(25)26)7-4-8-23-19/h3-11H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid has a molecular weight of 370.36 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24986825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).