2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid

C14H11ClN2O4 — CID 114916812

IUPAC2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
SMILESCC(=O)Nc1ccccc1Oc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H11ClN2O4/c1-8(18)17-11-4-2-3-5-12(11)21-13-6-9(14(19)20)10(15)7-16-13/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyHGVVKEXMJPLGIH-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid

2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid (PubChem CID 114916812) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
PubChem CID114916812
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
SMILESCC(=O)Nc1ccccc1Oc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H11ClN2O4/c1-8(18)17-11-4-2-3-5-12(11)21-13-6-9(14(19)20)10(15)7-16-13/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyHGVVKEXMJPLGIH-UHFFFAOYSA-N
XLogP3.18
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
N-[2-[(5-amino-4-methyl-2-pyridinyl)oxy]phenyl]acetamide
CID 79175977
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63377003
N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 62483341
2-(2-acetamidophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83178889
N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 16789726
3-chloro-7-methoxy-4-[2-(methylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid
CID 152622358
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid (CID 114916812) is 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid is CC(=O)Nc1ccccc1Oc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid?
The InChIKey is HGVVKEXMJPLGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8(18)17-11-4-2-3-5-12(11)21-13-6-9(14(19)20)10(15)7-16-13/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid?
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 114916812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).