2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid

C14H12F2N2O2 — CID 105382212

IUPAC2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCCN(c1ccccc1F)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12F2N2O2/c1-2-18(11-6-4-3-5-10(11)15)13-12(16)9(14(19)20)7-8-17-13/h3-8H,2H2,1H3,(H,19,20)
InChIKeyUBAMPBZGGCBOOY-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.22
Rot. Bonds4

About 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid

2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382212) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105382212
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCCN(c1ccccc1F)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12F2N2O2/c1-2-18(11-6-4-3-5-10(11)15)13-12(16)9(14(19)20)7-8-17-13/h3-8H,2H2,1H3,(H,19,20)
InChIKeyUBAMPBZGGCBOOY-UHFFFAOYSA-N
XLogP3.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-ethyl-2-fluoroanilino)pyridazine-4-carboxylic acid
CID 80516767
[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383033
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381871
4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
CID 62135800
3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
5-amino-6-(N-ethyl-2-fluoroanilino)pyridine-2-carboxamide
CID 114406299
2-fluoro-3-phenylpyridine-4-carboxylic acid
CID 46314938
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
6-(N-ethyl-2-fluoroanilino)pyrazine-2-carboxylic acid
CID 66450893
2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid
CID 63537295

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid (CID 105382212) is 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid is CCN(c1ccccc1F)c1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is UBAMPBZGGCBOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-2-18(11-6-4-3-5-10(11)15)13-12(16)9(14(19)20)7-8-17-13/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).