5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid

C16H13NO4 — CID 118346708

IUPAC5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid
SMILESCc1cc(-c2ccc(-c3ccc(C(=O)O)o3)o2)cc(C)n1
InChIInChI=1S/C16H13NO4/c1-9-7-11(8-10(2)17-9)12-3-4-13(20-12)14-5-6-15(21-14)16(18)19/h3-8H,1-2H3,(H,18,19)
InChIKeyTVEICWMLOOQAIM-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.92
Rot. Bonds3

About 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid

5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid (PubChem CID 118346708) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid
PubChem CID118346708
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid
SMILESCc1cc(-c2ccc(-c3ccc(C(=O)O)o3)o2)cc(C)n1
InChIInChI=1S/C16H13NO4/c1-9-7-11(8-10(2)17-9)12-3-4-13(20-12)14-5-6-15(21-14)16(18)19/h3-8H,1-2H3,(H,18,19)
InChIKeyTVEICWMLOOQAIM-UHFFFAOYSA-N
XLogP3.92
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
(E)-3-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]prop-2-enoic acid
CID 118350130
5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
CID 97034386
5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 960607
5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid
CID 142924551
5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
CID 63424237
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
5-[4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenyl]furan-2-carboxylic acid
CID 171865067
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid
CID 57339526
5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 67111138
5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid
CID 53427121

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid (CID 118346708) is 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid is Cc1cc(-c2ccc(-c3ccc(C(=O)O)o3)o2)cc(C)n1.
What is the InChIKey of 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid?
The InChIKey is TVEICWMLOOQAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9-7-11(8-10(2)17-9)12-3-4-13(20-12)14-5-6-15(21-14)16(18)19/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid?
5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid is sourced from PubChem (CID 118346708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).