4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid

C15H11NO3 — CID 82376004

IUPAC4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccnc3oc(C(=O)O)cc23)cc1
InChIInChI=1S/C15H11NO3/c1-9-2-4-10(5-3-9)11-6-7-16-14-12(11)8-13(19-14)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyFCCZBKBNXOUEGY-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.50
Rot. Bonds2

About 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid

4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 82376004) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
PubChem CID82376004
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccnc3oc(C(=O)O)cc23)cc1
InChIInChI=1S/C15H11NO3/c1-9-2-4-10(5-3-9)11-6-7-16-14-12(11)8-13(19-14)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyFCCZBKBNXOUEGY-UHFFFAOYSA-N
XLogP3.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376010
4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376011
5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376002
6-methyl-4-pyridin-2-ylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82375980
methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
6-methyl-4-phenylquinoline
CID 15512349
3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 115527351
5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 155391838
1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 159139332
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate
CID 89337937
bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)
CID 11981047

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid (CID 82376004) is 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid is Cc1ccc(-c2ccnc3oc(C(=O)O)cc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is FCCZBKBNXOUEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-2-4-10(5-3-9)11-6-7-16-14-12(11)8-13(19-14)15(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid?
4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 82376004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).