3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C23H14ClFN2O4 — CID 25173545

IUPAC3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occ(Cl)c3ccc2n1Cc1ccccc1F
InChIInChI=1S/C23H14ClFN2O4/c24-15-11-31-21-13(15)7-8-17-19(21)18(14-5-3-9-26-22(14)28)20(23(29)30)27(17)10-12-4-1-2-6-16(12)25/h1-9,11H,10H2,(H,26,28)(H,29,30)
InChIKeyUYUYFEPSFWCRBE-UHFFFAOYSA-N
MW436.83 g/mol
LogP5.28
Rot. Bonds4

About 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 25173545) has the molecular formula C23H14ClFN2O4 and a molecular weight of 436.83 g/mol. Its IUPAC name is 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID25173545
Molecular FormulaC23H14ClFN2O4
Molecular Weight436.83 g/mol
Exact Mass436.06
IUPAC Name3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occ(Cl)c3ccc2n1Cc1ccccc1F
InChIInChI=1S/C23H14ClFN2O4/c24-15-11-31-21-13(15)7-8-17-19(21)18(14-5-3-9-26-22(14)28)20(23(29)30)27(17)10-12-4-1-2-6-16(12)25/h1-9,11H,10H2,(H,26,28)(H,29,30)
InChIKeyUYUYFEPSFWCRBE-UHFFFAOYSA-N
XLogP5.28
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.83
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 25173545) is 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occ(Cl)c3ccc2n1Cc1ccccc1F.
What is the InChIKey of 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is UYUYFEPSFWCRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN2O4/c24-15-11-31-21-13(15)7-8-17-19(21)18(14-5-3-9-26-22(14)28)20(23(29)30)27(17)10-12-4-1-2-6-16(12)25/h1-9,11H,10H2,(H,26,28)(H,29,30).
What are the key properties of 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 436.83 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-fluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 25173545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).