5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid

C13H9ClN2O4 — CID 106502994

IUPAC5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
SMILESNC(=O)c1cc(Oc2ccc(Cl)c(C(=O)O)c2)ccn1
InChIInChI=1S/C13H9ClN2O4/c14-10-2-1-7(5-9(10)13(18)19)20-8-3-4-16-11(6-8)12(15)17/h1-6H,(H2,15,17)(H,18,19)
InChIKeyOKKDUEDBCNZLQZ-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.32
Rot. Bonds4

About 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid

5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid (PubChem CID 106502994) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
PubChem CID106502994
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
SMILESNC(=O)c1cc(Oc2ccc(Cl)c(C(=O)O)c2)ccn1
InChIInChI=1S/C13H9ClN2O4/c14-10-2-1-7(5-9(10)13(18)19)20-8-3-4-16-11(6-8)12(15)17/h1-6H,(H2,15,17)(H,18,19)
InChIKeyOKKDUEDBCNZLQZ-UHFFFAOYSA-N
XLogP2.32
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)pyridine-2-carboxamide
CID 141149531
carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
CID 91052781
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
4-(2,5-dichlorophenoxy)pyridine-2-carboxylic acid
CID 43325991
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143453790
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
CID 103589245
4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62111596
2-chloro-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid
CID 106502835
2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 106502824

Frequently Asked Questions

What is the IUPAC name of 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid?
The IUPAC name of 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid (CID 106502994) is 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid is NC(=O)c1cc(Oc2ccc(Cl)c(C(=O)O)c2)ccn1.
What is the InChIKey of 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid?
The InChIKey is OKKDUEDBCNZLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-10-2-1-7(5-9(10)13(18)19)20-8-3-4-16-11(6-8)12(15)17/h1-6H,(H2,15,17)(H,18,19).
What are the key properties of 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid?
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid has a molecular weight of 292.68 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid is sourced from PubChem (CID 106502994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).