ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile

C11H15FN2 — CID 145084095

IUPACethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile
SMILESCC.CC(C)c1cnc(C#N)c(F)c1
InChIInChI=1S/C9H9FN2.C2H6/c1-6(2)7-3-8(10)9(4-11)12-5-7;1-2/h3,5-6H,1-2H3;1-2H3
InChIKeyGJFRCIALCACMHW-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.24
Rot. Bonds1

About ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile

ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile (PubChem CID 145084095) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Nameethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile
PubChem CID145084095
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Nameethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile
SMILESCC.CC(C)c1cnc(C#N)c(F)c1
InChIInChI=1S/C9H9FN2.C2H6/c1-6(2)7-3-8(10)9(4-11)12-5-7;1-2/h3,5-6H,1-2H3;1-2H3
InChIKeyGJFRCIALCACMHW-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-propan-2-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 177335328
ethane;3-fluoro-5-methylpyridine-2-carbonitrile
CID 143407893
ethane;2-fluoro-5-propan-2-ylpyrimidine
CID 178173609
3-chloro-5-(1-sulfanylethyl)pyridine-2-carbonitrile
CID 143518449
3-fluoro-2-methylsulfonyl-5-propan-2-ylpyridine
CID 176650948
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
2-fluoro-4-propan-2-ylbenzonitrile
CID 59836617
3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
CID 90167151
1-(3-fluoro-5-propan-2-yl-2-pyridinyl)cyclopropan-1-ol
CID 176651302
3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
CID 176983892
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile
CID 170474754

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile (CID 145084095) is ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile is CC.CC(C)c1cnc(C#N)c(F)c1.
What is the InChIKey of ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is GJFRCIALCACMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2.C2H6/c1-6(2)7-3-8(10)9(4-11)12-5-7;1-2/h3,5-6H,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile?
ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 194.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 145084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).