(5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate

C16H10ClNO3 — CID 44583537

IUPAC(5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H10ClNO3/c17-12-8-13(10-18-9-12)20-16(19)15-7-6-14(21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyONIXAWGAFRUERV-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.21
Rot. Bonds3

About (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate

(5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate (PubChem CID 44583537) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate
PubChem CID44583537
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name(5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H10ClNO3/c17-12-8-13(10-18-9-12)20-16(19)15-7-6-14(21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyONIXAWGAFRUERV-UHFFFAOYSA-N
XLogP4.21
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate (CID 44583537) is (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate is O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate?
The InChIKey is ONIXAWGAFRUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-12-8-13(10-18-9-12)20-16(19)15-7-6-14(21-15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate?
(5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate has a molecular weight of 299.71 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 5-phenylfuran-2-carboxylate is sourced from PubChem (CID 44583537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).