acetic acid;3-fluoro-2-methylpyridine

C8H10FNO2 — CID 175599570

IUPACacetic acid;3-fluoro-2-methylpyridine
SMILESCC(=O)O.Cc1ncccc1F
InChIInChI=1S/C6H6FN.C2H4O2/c1-5-6(7)3-2-4-8-5;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeyRQIOBUIZVYEWFE-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.62
Rot. Bonds

About acetic acid;3-fluoro-2-methylpyridine

acetic acid;3-fluoro-2-methylpyridine (PubChem CID 175599570) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is acetic acid;3-fluoro-2-methylpyridine.

Molecular Properties

Compound Nameacetic acid;3-fluoro-2-methylpyridine
PubChem CID175599570
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Nameacetic acid;3-fluoro-2-methylpyridine
SMILESCC(=O)O.Cc1ncccc1F
InChIInChI=1S/C6H6FN.C2H4O2/c1-5-6(7)3-2-4-8-5;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeyRQIOBUIZVYEWFE-UHFFFAOYSA-N
XLogP1.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-methylpyridine;propane
CID 171848252
CID 88656864
CID 88656864
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
(3-fluoro-2-pyridinyl) acetate
CID 15091012
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
(E)-3-(3-fluoro-2-pyridinyl)prop-2-enoic acid
CID 131350748
3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one
CID 143714736
1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 84657708
N,N-bis(2-methyl-3-pyridinyl)acetamide
CID 123651187
2-fluoro-6-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 104917973

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-fluoro-2-methylpyridine?
The IUPAC name of acetic acid;3-fluoro-2-methylpyridine (CID 175599570) is acetic acid;3-fluoro-2-methylpyridine.
What is the SMILES notation for acetic acid;3-fluoro-2-methylpyridine?
The canonical SMILES for acetic acid;3-fluoro-2-methylpyridine is CC(=O)O.Cc1ncccc1F.
What is the InChIKey of acetic acid;3-fluoro-2-methylpyridine?
The InChIKey is RQIOBUIZVYEWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.C2H4O2/c1-5-6(7)3-2-4-8-5;1-2(3)4/h2-4H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-fluoro-2-methylpyridine?
acetic acid;3-fluoro-2-methylpyridine has a molecular weight of 171.17 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-fluoro-2-methylpyridine is sourced from PubChem (CID 175599570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).