(5-chloro-3-pyridinyl) 2-fluorobenzoate

C12H7ClFNO2 — CID 5016983

IUPAC(5-chloro-3-pyridinyl) 2-fluorobenzoate
SMILESO=C(Oc1cncc(Cl)c1)c1ccccc1F
InChIInChI=1S/C12H7ClFNO2/c13-8-5-9(7-15-6-8)17-12(16)10-3-1-2-4-11(10)14/h1-7H
InChIKeyWZNKVFJLWZGOFG-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.09
Rot. Bonds2

About (5-chloro-3-pyridinyl) 2-fluorobenzoate

(5-chloro-3-pyridinyl) 2-fluorobenzoate (PubChem CID 5016983) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 2-fluorobenzoate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 2-fluorobenzoate
PubChem CID5016983
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name(5-chloro-3-pyridinyl) 2-fluorobenzoate
SMILESO=C(Oc1cncc(Cl)c1)c1ccccc1F
InChIInChI=1S/C12H7ClFNO2/c13-8-5-9(7-15-6-8)17-12(16)10-3-1-2-4-11(10)14/h1-7H
InChIKeyWZNKVFJLWZGOFG-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 2-fluorobenzoate?
The IUPAC name of (5-chloro-3-pyridinyl) 2-fluorobenzoate (CID 5016983) is (5-chloro-3-pyridinyl) 2-fluorobenzoate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 2-fluorobenzoate?
The canonical SMILES for (5-chloro-3-pyridinyl) 2-fluorobenzoate is O=C(Oc1cncc(Cl)c1)c1ccccc1F.
What is the InChIKey of (5-chloro-3-pyridinyl) 2-fluorobenzoate?
The InChIKey is WZNKVFJLWZGOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-8-5-9(7-15-6-8)17-12(16)10-3-1-2-4-11(10)14/h1-7H.
What are the key properties of (5-chloro-3-pyridinyl) 2-fluorobenzoate?
(5-chloro-3-pyridinyl) 2-fluorobenzoate has a molecular weight of 251.64 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 2-fluorobenzoate is sourced from PubChem (CID 5016983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).