ethane;2,3,4,6-tetrafluoro-5-methylpyridine

C8H9F4N — CID 170619957

IUPACethane;2,3,4,6-tetrafluoro-5-methylpyridine
SMILESCC.Cc1c(F)nc(F)c(F)c1F
InChIInChI=1S/C6H3F4N.C2H6/c1-2-3(7)4(8)6(10)11-5(2)9;1-2/h1H3;1-2H3
InChIKeyXELYDBSVVZNICQ-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.97
Rot. Bonds

About ethane;2,3,4,6-tetrafluoro-5-methylpyridine

ethane;2,3,4,6-tetrafluoro-5-methylpyridine (PubChem CID 170619957) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is ethane;2,3,4,6-tetrafluoro-5-methylpyridine.

Molecular Properties

Compound Nameethane;2,3,4,6-tetrafluoro-5-methylpyridine
PubChem CID170619957
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Nameethane;2,3,4,6-tetrafluoro-5-methylpyridine
SMILESCC.Cc1c(F)nc(F)c(F)c1F
InChIInChI=1S/C6H3F4N.C2H6/c1-2-3(7)4(8)6(10)11-5(2)9;1-2/h1H3;1-2H3
InChIKeyXELYDBSVVZNICQ-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,6-trifluoro-4,5-dimethylpyridine
CID 20792086
2,3,4,5-tetrafluoro-6-methylpyridine
CID 15388342
ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 142404647
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
3,5-dichloro-2,6-difluoro-4-methylpyridine
CID 54345490
2,3,4,6,7,8-hexafluoro-1,5-naphthyridine
CID 146262522
4-tert-butyl-2,3,5,6-tetrafluoropyridine
CID 59773413
4,5-difluoro-2,6-dimethylpyrimidine
CID 122695499
3-(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-2,4-dione
CID 162686696
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)tellanyl]pyridine
CID 139100618
(1R)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
CID 55275978
1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
CID 55296697

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,6-tetrafluoro-5-methylpyridine?
The IUPAC name of ethane;2,3,4,6-tetrafluoro-5-methylpyridine (CID 170619957) is ethane;2,3,4,6-tetrafluoro-5-methylpyridine.
What is the SMILES notation for ethane;2,3,4,6-tetrafluoro-5-methylpyridine?
The canonical SMILES for ethane;2,3,4,6-tetrafluoro-5-methylpyridine is CC.Cc1c(F)nc(F)c(F)c1F.
What is the InChIKey of ethane;2,3,4,6-tetrafluoro-5-methylpyridine?
The InChIKey is XELYDBSVVZNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4N.C2H6/c1-2-3(7)4(8)6(10)11-5(2)9;1-2/h1H3;1-2H3.
What are the key properties of ethane;2,3,4,6-tetrafluoro-5-methylpyridine?
ethane;2,3,4,6-tetrafluoro-5-methylpyridine has a molecular weight of 195.16 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,6-tetrafluoro-5-methylpyridine is sourced from PubChem (CID 170619957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).