2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid

C16H13NO4 — CID 127254012

IUPAC2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid
SMILESCc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)[nH]1
InChIInChI=1S/C16H13NO4/c1-9-7-12-14(16(20)17-9)11(8-13(18)19)15(21-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyFKKMRRZBRDKUDQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.72
Rot. Bonds3

About 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid

2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid (PubChem CID 127254012) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid
PubChem CID127254012
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid
SMILESCc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)[nH]1
InChIInChI=1S/C16H13NO4/c1-9-7-12-14(16(20)17-9)11(8-13(18)19)15(21-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyFKKMRRZBRDKUDQ-UHFFFAOYSA-N
XLogP2.72
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid (CID 127254012) is 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid is Cc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)[nH]1.
What is the InChIKey of 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid?
The InChIKey is FKKMRRZBRDKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9-7-12-14(16(20)17-9)11(8-13(18)19)15(21-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid?
2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid has a molecular weight of 283.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-2-phenyl-5H-furo[3,2-c]pyridin-3-yl)acetic acid is sourced from PubChem (CID 127254012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).