(4-chloro-5-fluoro-2-pyridinyl)methyl acetate

C8H7ClFNO2 — CID 68735259

IUPAC(4-chloro-5-fluoro-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1cc(Cl)c(F)cn1
InChIInChI=1S/C8H7ClFNO2/c1-5(12)13-4-6-2-7(9)8(10)3-11-6/h2-3H,4H2,1H3
InChIKeyREJLPHFLPOIBPR-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.94
Rot. Bonds2

About (4-chloro-5-fluoro-2-pyridinyl)methyl acetate

(4-chloro-5-fluoro-2-pyridinyl)methyl acetate (PubChem CID 68735259) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is (4-chloro-5-fluoro-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(4-chloro-5-fluoro-2-pyridinyl)methyl acetate
PubChem CID68735259
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name(4-chloro-5-fluoro-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1cc(Cl)c(F)cn1
InChIInChI=1S/C8H7ClFNO2/c1-5(12)13-4-6-2-7(9)8(10)3-11-6/h2-3H,4H2,1H3
InChIKeyREJLPHFLPOIBPR-UHFFFAOYSA-N
XLogP1.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoro-2-pyridinyl)methyl acetate?
The IUPAC name of (4-chloro-5-fluoro-2-pyridinyl)methyl acetate (CID 68735259) is (4-chloro-5-fluoro-2-pyridinyl)methyl acetate.
What is the SMILES notation for (4-chloro-5-fluoro-2-pyridinyl)methyl acetate?
The canonical SMILES for (4-chloro-5-fluoro-2-pyridinyl)methyl acetate is CC(=O)OCc1cc(Cl)c(F)cn1.
What is the InChIKey of (4-chloro-5-fluoro-2-pyridinyl)methyl acetate?
The InChIKey is REJLPHFLPOIBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-5(12)13-4-6-2-7(9)8(10)3-11-6/h2-3H,4H2,1H3.
What are the key properties of (4-chloro-5-fluoro-2-pyridinyl)methyl acetate?
(4-chloro-5-fluoro-2-pyridinyl)methyl acetate has a molecular weight of 203.60 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoro-2-pyridinyl)methyl acetate is sourced from PubChem (CID 68735259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).