2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid

C14H7BrClFN2O4 — CID 59225766

IUPAC2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
SMILESN#Cc1cc(Cl)cc(Oc2c(F)c(CC(=O)O)[nH]c(=O)c2Br)c1
InChIInChI=1S/C14H7BrClFN2O4/c15-11-13(12(17)9(4-10(20)21)19-14(11)22)23-8-2-6(5-18)1-7(16)3-8/h1-3H,4H2,(H,19,22)(H,20,21)
InChIKeyJKPDBZHORPYUQZ-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.22
Rot. Bonds4

About 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid

2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid (PubChem CID 59225766) has the molecular formula C14H7BrClFN2O4 and a molecular weight of 401.58 g/mol. Its IUPAC name is 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
PubChem CID59225766
Molecular FormulaC14H7BrClFN2O4
Molecular Weight401.58 g/mol
Exact Mass399.93
IUPAC Name2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
SMILESN#Cc1cc(Cl)cc(Oc2c(F)c(CC(=O)O)[nH]c(=O)c2Br)c1
InChIInChI=1S/C14H7BrClFN2O4/c15-11-13(12(17)9(4-10(20)21)19-14(11)22)23-8-2-6(5-18)1-7(16)3-8/h1-3H,4H2,(H,19,22)(H,20,21)
InChIKeyJKPDBZHORPYUQZ-UHFFFAOYSA-N
XLogP3.22
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-bromo-6-(bromomethyl)-2-fluorophenoxy]-5-chlorobenzonitrile
CID 69045756
3-[[5-bromo-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-fluoro-6-oxo-1H-pyridin-4-yl]oxy]-5-methylbenzonitrile
CID 143951144
3-[6-bromo-2-fluoro-3-[[5-(hydroxymethyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]methyl]phenoxy]-5-chlorobenzonitrile
CID 86575295
ethyl 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]acetate
CID 66999330
3-[6-bromo-2-fluoro-3-[(5-hydroxy-4-methyl-2-oxo-1H-imidazol-3-yl)methyl]phenoxy]-5-chlorobenzonitrile
CID 91186260
2-[4,5-dibromo-3-[3-cyano-5-(difluoromethyl)phenoxy]-2-fluorophenyl]acetic acid
CID 21079744
N-[[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-5-chloro-2-(hydroxymethyl)-1H-imidazole-4-carboxamide
CID 25126801
3-(3-bromo-2-fluoro-6-formylphenoxy)-5-chlorobenzonitrile
CID 86078195
3-chloro-5-[3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-6-ethyl-2-fluorophenoxy]benzonitrile
CID 25095156
2-acetyl-5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68794729
3-(2-amino-3-bromo-6-fluoro-5-methylphenoxy)-5-chlorobenzonitrile
CID 86644944
5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
CID 59451507

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid (CID 59225766) is 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid is N#Cc1cc(Cl)cc(Oc2c(F)c(CC(=O)O)[nH]c(=O)c2Br)c1.
What is the InChIKey of 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid?
The InChIKey is JKPDBZHORPYUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O4/c15-11-13(12(17)9(4-10(20)21)19-14(11)22)23-8-2-6(5-18)1-7(16)3-8/h1-3H,4H2,(H,19,22)(H,20,21).
What are the key properties of 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid?
2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid has a molecular weight of 401.58 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 59225766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).