2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid

C14H11BrClFN2O2 — CID 107613288

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C14H11BrClFN2O2/c1-2-9-3-7(14(20)21)4-12(18-9)19-13-10(15)5-8(17)6-11(13)16/h3-6H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyZWKHEIVMVNWMHG-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.64
Rot. Bonds4

About 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid

2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid (PubChem CID 107613288) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
PubChem CID107613288
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C14H11BrClFN2O2/c1-2-9-3-7(14(20)21)4-12(18-9)19-13-10(15)5-8(17)6-11(13)16/h3-6H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyZWKHEIVMVNWMHG-UHFFFAOYSA-N
XLogP4.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107616628
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid
CID 107636058
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 107612296
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid
CID 113380098
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 107614938
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid (CID 107613288) is 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(Nc2c(Cl)cc(F)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid?
The InChIKey is ZWKHEIVMVNWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c1-2-9-3-7(14(20)21)4-12(18-9)19-13-10(15)5-8(17)6-11(13)16/h3-6H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid?
2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid has a molecular weight of 373.61 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 107613288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).