4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid

C16H10N2O4 — CID 59478131

IUPAC4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccco1
InChIInChI=1S/C16H10N2O4/c17-7-10-8-18(9-13(10)15-2-1-5-22-15)11-3-4-12(16(20)21)14(19)6-11/h1-6,8-9,19H,(H,20,21)
InChIKeyZWZQFNSOFGQISH-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.01
Rot. Bonds3

About 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid

4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid (PubChem CID 59478131) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid
PubChem CID59478131
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccco1
InChIInChI=1S/C16H10N2O4/c17-7-10-8-18(9-13(10)15-2-1-5-22-15)11-3-4-12(16(20)21)14(19)6-11/h1-6,8-9,19H,(H,20,21)
InChIKeyZWZQFNSOFGQISH-UHFFFAOYSA-N
XLogP3.01
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid (CID 59478131) is 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid is N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccco1.
What is the InChIKey of 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid?
The InChIKey is ZWZQFNSOFGQISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4/c17-7-10-8-18(9-13(10)15-2-1-5-22-15)11-3-4-12(16(20)21)14(19)6-11/h1-6,8-9,19H,(H,20,21).
What are the key properties of 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid?
4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid has a molecular weight of 294.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 59478131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).