5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid

C15H11NO3 — CID 82376002

IUPAC5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cnc2oc(C(=O)O)cc2c1-c1ccccc1
InChIInChI=1S/C15H11NO3/c1-9-8-16-14-11(7-12(19-14)15(17)18)13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)
InChIKeyQPDQKVSZDCIPLC-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.50
Rot. Bonds2

About 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid

5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid (PubChem CID 82376002) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid
PubChem CID82376002
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cnc2oc(C(=O)O)cc2c1-c1ccccc1
InChIInChI=1S/C15H11NO3/c1-9-8-16-14-11(7-12(19-14)15(17)18)13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)
InChIKeyQPDQKVSZDCIPLC-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

5-(4-phenylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 155391838
4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376004
4-ethylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376010
4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376011
6-methyl-4-pyridin-2-ylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82375980
4-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 130064961
N-[(3,5-dimethylphenyl)methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
CID 139935058
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
4-phenylisoquinoline-3-carboxylic acid
CID 54415243
3-phenylfuro[3,2-c]pyridine-2-carboxylic acid
CID 69268109
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
4-bromo-7-methyl-1-benzofuran-2-carboxylic acid
CID 84729253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid (CID 82376002) is 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid is Cc1cnc2oc(C(=O)O)cc2c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is QPDQKVSZDCIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-8-16-14-11(7-12(19-14)15(17)18)13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18).
What are the key properties of 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid?
5-methyl-4-phenylfuro[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 5-methyl-4-phenylfuro[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 82376002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).