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

C18H24FN3 — CID 169235790

IUPACethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine
SMILESCC.CC(C)c1ncccc1F.CCc1ccc(C#N)nc1
InChIInChI=1S/C8H10FN.C8H8N2.C2H6/c1-6(2)8-7(9)4-3-5-10-8;1-2-7-3-4-8(5-9)10-6-7;1-2/h3-6H,1-2H3;3-4,6H,2H2,1H3;1-2H3
InChIKeyFDQRCDRVXACJBU-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.89
Rot. Bonds2

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

ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine (PubChem CID 169235790) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine
PubChem CID169235790
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Nameethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine
SMILESCC.CC(C)c1ncccc1F.CCc1ccc(C#N)nc1
InChIInChI=1S/C8H10FN.C8H8N2.C2H6/c1-6(2)8-7(9)4-3-5-10-8;1-2-7-3-4-8(5-9)10-6-7;1-2/h3-6H,1-2H3;3-4,6H,2H2,1H3;1-2H3
InChIKeyFDQRCDRVXACJBU-UHFFFAOYSA-N
XLogP4.89
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-ethylphenyl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257944
2-(3-chloropentan-2-yl)-3-fluoropyridine
CID 63560055
5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile
CID 83874430
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
ethane;5-ethyl-2-pyridin-2-ylpyridine
CID 143067787
(3R)-3-amino-3-(3-fluoro-2-pyridinyl)propanenitrile
CID 55276318
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
5-[(Z)-2-aminopent-2-enyl]pyridine-2-carbonitrile
CID 154705906
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
5-(2-oxoethyl)pyridine-2-carbonitrile
CID 83872407

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine?
The IUPAC name of ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine (CID 169235790) is ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine.
What is the SMILES notation for ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine?
The canonical SMILES for ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine is CC.CC(C)c1ncccc1F.CCc1ccc(C#N)nc1.
What is the InChIKey of ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine?
The InChIKey is FDQRCDRVXACJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.C8H8N2.C2H6/c1-6(2)8-7(9)4-3-5-10-8;1-2-7-3-4-8(5-9)10-6-7;1-2/h3-6H,1-2H3;3-4,6H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine?
ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine has a molecular weight of 301.41 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine is sourced from PubChem (CID 169235790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).