2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid

C14H13FN2O3 — CID 105382099

IUPAC2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCCOc1cccc(Nc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C14H13FN2O3/c1-2-20-10-5-3-4-9(8-10)17-13-12(15)11(14(18)19)6-7-16-13/h3-8H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyIVAYJODBMLCAFN-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid

2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382099) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105382099
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCCOc1cccc(Nc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C14H13FN2O3/c1-2-20-10-5-3-4-9(8-10)17-13-12(15)11(14(18)19)6-7-16-13/h3-8H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyIVAYJODBMLCAFN-UHFFFAOYSA-N
XLogP3.06
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 105382529
2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382643
5-chloro-2-(3-ethoxyanilino)benzoic acid
CID 63538185
3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
CID 107588904
2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
CID 24986825
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
2-[4-(cyanomethyl)anilino]-3-fluoropyridine-4-carboxylic acid
CID 105382235
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
4-(3-ethoxyanilino)-3-methylbenzoic acid
CID 63212509
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid (CID 105382099) is 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid is CCOc1cccc(Nc2nccc(C(=O)O)c2F)c1.
What is the InChIKey of 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is IVAYJODBMLCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-2-20-10-5-3-4-9(8-10)17-13-12(15)11(14(18)19)6-7-16-13/h3-8H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).