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

2-[4-(3-ethoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-3-carboxylic acid
CID 158575024
2-[4-[3-(cyclopropylmethyl)phenyl]-2,6-difluoroanilino]pyridine-3-carboxylic acid
CID 71081732
2-[[2-chloro-4-(3-ethoxyphenyl)-6-fluorophenyl]carbamoyl]benzoic acid;4,5-dichloro-2-[[2-chloro-4-(3-ethoxyphenyl)-6-fluorophenyl]carbamoyl]benzoic acid
CID 158060070
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 58075174
2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 162176572
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;2-[3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid
CID 157470403
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid
CID 70027003
2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24986465

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).