6-[(E)-but-1-enyl]pyridine-3-carbonitrile

C10H10N2 — CID 154695168

IUPAC6-[(E)-but-1-enyl]pyridine-3-carbonitrile
SMILESCC/C=C/c1ccc(C#N)cn1
InChIInChI=1S/C10H10N2/c1-2-3-4-10-6-5-9(7-11)8-12-10/h3-6,8H,2H2,1H3/b4-3+
InChIKeyJFFXTMXFKMXGLP-ONEGZZNKSA-N
MW158.20 g/mol
LogP2.38
Rot. Bonds2

About 6-[(E)-but-1-enyl]pyridine-3-carbonitrile

6-[(E)-but-1-enyl]pyridine-3-carbonitrile (PubChem CID 154695168) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-[(E)-but-1-enyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(E)-but-1-enyl]pyridine-3-carbonitrile
PubChem CID154695168
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name6-[(E)-but-1-enyl]pyridine-3-carbonitrile
SMILESCC/C=C/c1ccc(C#N)cn1
InChIInChI=1S/C10H10N2/c1-2-3-4-10-6-5-9(7-11)8-12-10/h3-6,8H,2H2,1H3/b4-3+
InChIKeyJFFXTMXFKMXGLP-ONEGZZNKSA-N
XLogP2.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-ethoxyethenyl)pyridine-3-carbonitrile
CID 69120874
6-methylpyridine-3-carbonitrile;propane
CID 142590874
2-[(E)-hept-1-enyl]-5-[4-[6-[(E)-hept-1-enyl]-3-pyridinyl]buta-1,3-diynyl]pyridine
CID 139688463
3-but-1-enylbenzonitrile
CID 66844628
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
3-[(E)-but-1-enyl]-4-formylbenzonitrile
CID 145008151
4-[5-[(E)-pent-2-enoxy]pyrimidin-2-yl]benzonitrile
CID 70153711
3-[(E)-but-1-enyl]-1-methylindole-5-carbonitrile
CID 46211681
6-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]pyridine-3-carbonitrile
CID 170805997
4-[(E)-but-1-enyl]-2-ethylpyrimidine
CID 59117217
6-(chloromethyl)pyridine-3-carbonitrile
CID 14980535
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-1-enyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(E)-but-1-enyl]pyridine-3-carbonitrile (CID 154695168) is 6-[(E)-but-1-enyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(E)-but-1-enyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(E)-but-1-enyl]pyridine-3-carbonitrile is CC/C=C/c1ccc(C#N)cn1.
What is the InChIKey of 6-[(E)-but-1-enyl]pyridine-3-carbonitrile?
The InChIKey is JFFXTMXFKMXGLP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-3-4-10-6-5-9(7-11)8-12-10/h3-6,8H,2H2,1H3/b4-3+.
What are the key properties of 6-[(E)-but-1-enyl]pyridine-3-carbonitrile?
6-[(E)-but-1-enyl]pyridine-3-carbonitrile has a molecular weight of 158.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-1-enyl]pyridine-3-carbonitrile is sourced from PubChem (CID 154695168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).