2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid

C19H12ClF2NO4 — CID 59585047

IUPAC2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2nc(-c3cccc(F)c3F)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C19H12ClF2NO4/c1-26-10-5-8-16(13(20)9-10)27-18-12(19(24)25)6-7-15(23-18)11-3-2-4-14(21)17(11)22/h2-9H,1H3,(H,24,25)
InChIKeyNBIGPPODXVOUJT-UHFFFAOYSA-N
MW391.76 g/mol
LogP5.18
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid

2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid (PubChem CID 59585047) has the molecular formula C19H12ClF2NO4 and a molecular weight of 391.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
PubChem CID59585047
Molecular FormulaC19H12ClF2NO4
Molecular Weight391.76 g/mol
Exact Mass391.04
IUPAC Name2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2nc(-c3cccc(F)c3F)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C19H12ClF2NO4/c1-26-10-5-8-16(13(20)9-10)27-18-12(19(24)25)6-7-15(23-18)11-3-2-4-14(21)17(11)22/h2-9H,1H3,(H,24,25)
InChIKeyNBIGPPODXVOUJT-UHFFFAOYSA-N
XLogP5.18
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.76
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
CID 66858904
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
CID 59585000
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226527
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376889
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
CID 55101715
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid (CID 59585047) is 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid is COc1ccc(Oc2nc(-c3cccc(F)c3F)ccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is NBIGPPODXVOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2NO4/c1-26-10-5-8-16(13(20)9-10)27-18-12(19(24)25)6-7-15(23-18)11-3-2-4-14(21)17(11)22/h2-9H,1H3,(H,24,25).
What are the key properties of 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid?
2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 391.76 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59585047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).