6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid

C16H15NO4 — CID 16789396

IUPAC6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
SMILESCC1(C)Cc2cccc(Oc3ccc(C(=O)O)cn3)c2O1
InChIInChI=1S/C16H15NO4/c1-16(2)8-10-4-3-5-12(14(10)21-16)20-13-7-6-11(9-17-13)15(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyUDUJULJNSIJCIS-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.29
Rot. Bonds3

About 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid

6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid (PubChem CID 16789396) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
PubChem CID16789396
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
SMILESCC1(C)Cc2cccc(Oc3ccc(C(=O)O)cn3)c2O1
InChIInChI=1S/C16H15NO4/c1-16(2)8-10-4-3-5-12(14(10)21-16)20-13-7-6-11(9-17-13)15(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyUDUJULJNSIJCIS-UHFFFAOYSA-N
XLogP3.29
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 29275418
5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
CID 66234792
(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine
CID 56678678
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 63942868
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679540
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-iodopyrimidine
CID 113459432
[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
CID 62298154
(2,2-dimethyl-3H-1-benzofuran-7-yl) 4-bromobenzoate
CID 2402597
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbut-2-enoic acid
CID 77005442
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid (CID 16789396) is 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid is CC1(C)Cc2cccc(Oc3ccc(C(=O)O)cn3)c2O1.
What is the InChIKey of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid?
The InChIKey is UDUJULJNSIJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-16(2)8-10-4-3-5-12(14(10)21-16)20-13-7-6-11(9-17-13)15(18)19/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid?
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 16789396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).