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

C10H6ClNO3 — CID 7230550

IUPAC(5-chloro-3-pyridinyl) furan-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1ccco1
InChIInChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
InChIKeyDWJOEJDGHVXXEB-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.55
Rot. Bonds2

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

(5-chloro-3-pyridinyl) furan-2-carboxylate (PubChem CID 7230550) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) furan-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) furan-2-carboxylate
PubChem CID7230550
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name(5-chloro-3-pyridinyl) furan-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1ccco1
InChIInChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
InChIKeyDWJOEJDGHVXXEB-UHFFFAOYSA-N
XLogP2.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.55
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) furan-2-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) furan-2-carboxylate (CID 7230550) is (5-chloro-3-pyridinyl) furan-2-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) furan-2-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) furan-2-carboxylate is O=C(Oc1cncc(Cl)c1)c1ccco1.
What is the InChIKey of (5-chloro-3-pyridinyl) furan-2-carboxylate?
The InChIKey is DWJOEJDGHVXXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H.
What are the key properties of (5-chloro-3-pyridinyl) furan-2-carboxylate?
(5-chloro-3-pyridinyl) furan-2-carboxylate has a molecular weight of 223.62 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) furan-2-carboxylate is sourced from PubChem (CID 7230550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).