(3-fluoro-2-pyridinyl) acetate

C7H6FNO2 — CID 15091012

IUPAC(3-fluoro-2-pyridinyl) acetate
SMILESCC(=O)Oc1ncccc1F
InChIInChI=1S/C7H6FNO2/c1-5(10)11-7-6(8)3-2-4-9-7/h2-4H,1H3
InChIKeyDBSKIKIWLHLMKL-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.15
Rot. Bonds1

About (3-fluoro-2-pyridinyl) acetate

(3-fluoro-2-pyridinyl) acetate (PubChem CID 15091012) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is (3-fluoro-2-pyridinyl) acetate.

Molecular Properties

Compound Name(3-fluoro-2-pyridinyl) acetate
PubChem CID15091012
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Name(3-fluoro-2-pyridinyl) acetate
SMILESCC(=O)Oc1ncccc1F
InChIInChI=1S/C7H6FNO2/c1-5(10)11-7-6(8)3-2-4-9-7/h2-4H,1H3
InChIKeyDBSKIKIWLHLMKL-UHFFFAOYSA-N
XLogP1.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
[3-(3-aminopropyl)-2-pyridinyl] acetate
CID 174988941
[3-(2-phenylethenyl)-2-pyridinyl] acetate
CID 175048003
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
(3-fluoro-2-pyridinyl)oxyboronic acid
CID 142794049
3-[(3-fluoro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442880
acetyloxy-[(2-methoxy-3-pyridinyl)oxy]lead
CID 164850510
(8-hydroxy-1,6-naphthyridin-7-yl) acetate
CID 58939943
CID 140752568
CID 140752568
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
3-chloro-4-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733254

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyridinyl) acetate?
The IUPAC name of (3-fluoro-2-pyridinyl) acetate (CID 15091012) is (3-fluoro-2-pyridinyl) acetate.
What is the SMILES notation for (3-fluoro-2-pyridinyl) acetate?
The canonical SMILES for (3-fluoro-2-pyridinyl) acetate is CC(=O)Oc1ncccc1F.
What is the InChIKey of (3-fluoro-2-pyridinyl) acetate?
The InChIKey is DBSKIKIWLHLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c1-5(10)11-7-6(8)3-2-4-9-7/h2-4H,1H3.
What are the key properties of (3-fluoro-2-pyridinyl) acetate?
(3-fluoro-2-pyridinyl) acetate has a molecular weight of 155.13 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyridinyl) acetate is sourced from PubChem (CID 15091012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).