ethane;pyridine-2-carbonitrile

C10H16N2 — CID 90851694

IUPACethane;pyridine-2-carbonitrile
SMILESCC.CC.N#Cc1ccccn1
InChIInChI=1S/C6H4N2.2C2H6/c7-5-6-3-1-2-4-8-6;2*1-2/h1-4H;2*1-2H3
InChIKeyFQKGEEDBYXJZBK-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.01
Rot. Bonds

About ethane;pyridine-2-carbonitrile

ethane;pyridine-2-carbonitrile (PubChem CID 90851694) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;pyridine-2-carbonitrile.

Molecular Properties

Compound Nameethane;pyridine-2-carbonitrile
PubChem CID90851694
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameethane;pyridine-2-carbonitrile
SMILESCC.CC.N#Cc1ccccn1
InChIInChI=1S/C6H4N2.2C2H6/c7-5-6-3-1-2-4-8-6;2*1-2/h1-4H;2*1-2H3
InChIKeyFQKGEEDBYXJZBK-UHFFFAOYSA-N
XLogP3.01
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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pyridine-2-carbonitrile;pyridine-3-carbonitrile
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5-deuteriopyridine-2-carbonitrile
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2-ethynylpyridine;hydrate
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CID 172928663
CID 172928663
dimethyl(2-pyridin-2-ylethynyl)silane
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ethane;5-methanidylpyridine-2-carbonitrile;yttrium
CID 169217341
5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 115489929
[dimethyl(2-pyridin-2-ylethynyl)silyl]oxy-dimethyl-(2-pyridin-2-ylethynyl)silane
CID 101345226
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Frequently Asked Questions

What is the IUPAC name of ethane;pyridine-2-carbonitrile?
The IUPAC name of ethane;pyridine-2-carbonitrile (CID 90851694) is ethane;pyridine-2-carbonitrile.
What is the SMILES notation for ethane;pyridine-2-carbonitrile?
The canonical SMILES for ethane;pyridine-2-carbonitrile is CC.CC.N#Cc1ccccn1.
What is the InChIKey of ethane;pyridine-2-carbonitrile?
The InChIKey is FQKGEEDBYXJZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2.2C2H6/c7-5-6-3-1-2-4-8-6;2*1-2/h1-4H;2*1-2H3.
What are the key properties of ethane;pyridine-2-carbonitrile?
ethane;pyridine-2-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridine-2-carbonitrile is sourced from PubChem (CID 90851694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).