5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid

C10H6ClNO3 — CID 53427121

IUPAC5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)nc2)o1
InChIInChI=1S/C10H6ClNO3/c11-9-4-1-6(5-12-9)7-2-3-8(15-7)10(13)14/h1-5H,(H,13,14)
InChIKeyXNXWHMGFBOBZRI-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.69
Rot. Bonds2

About 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid

5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid (PubChem CID 53427121) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid
PubChem CID53427121
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)nc2)o1
InChIInChI=1S/C10H6ClNO3/c11-9-4-1-6(5-12-9)7-2-3-8(15-7)10(13)14/h1-5H,(H,13,14)
InChIKeyXNXWHMGFBOBZRI-UHFFFAOYSA-N
XLogP2.69
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid?
The IUPAC name of 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid (CID 53427121) is 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(Cl)nc2)o1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid?
The InChIKey is XNXWHMGFBOBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-9-4-1-6(5-12-9)7-2-3-8(15-7)10(13)14/h1-5H,(H,13,14).
What are the key properties of 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid?
5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid is sourced from PubChem (CID 53427121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).