ethane;3-fluoro-5-methylpyridine

C8H12FN — CID 142820910

IUPACethane;3-fluoro-5-methylpyridine
SMILESCC.Cc1cncc(F)c1
InChIInChI=1S/C6H6FN.C2H6/c1-5-2-6(7)4-8-3-5;1-2/h2-4H,1H3;1-2H3
InChIKeyNCHKPBGOVLWWQH-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.56
Rot. Bonds

About ethane;3-fluoro-5-methylpyridine

ethane;3-fluoro-5-methylpyridine (PubChem CID 142820910) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is ethane;3-fluoro-5-methylpyridine.

Molecular Properties

Compound Nameethane;3-fluoro-5-methylpyridine
PubChem CID142820910
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Nameethane;3-fluoro-5-methylpyridine
SMILESCC.Cc1cncc(F)c1
InChIInChI=1S/C6H6FN.C2H6/c1-5-2-6(7)4-8-3-5;1-2/h2-4H,1H3;1-2H3
InChIKeyNCHKPBGOVLWWQH-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-5-methylpyridine?
The IUPAC name of ethane;3-fluoro-5-methylpyridine (CID 142820910) is ethane;3-fluoro-5-methylpyridine.
What is the SMILES notation for ethane;3-fluoro-5-methylpyridine?
The canonical SMILES for ethane;3-fluoro-5-methylpyridine is CC.Cc1cncc(F)c1.
What is the InChIKey of ethane;3-fluoro-5-methylpyridine?
The InChIKey is NCHKPBGOVLWWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.C2H6/c1-5-2-6(7)4-8-3-5;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;3-fluoro-5-methylpyridine?
ethane;3-fluoro-5-methylpyridine has a molecular weight of 141.19 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-5-methylpyridine is sourced from PubChem (CID 142820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).