2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile

C10H12N2 — CID 84764251

IUPAC2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
SMILESCCc1nccc(CC#N)c1C
InChIInChI=1S/C10H12N2/c1-3-10-8(2)9(4-6-11)5-7-12-10/h5,7H,3-4H2,1-2H3
InChIKeyYYHYHDZIOIXYDD-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.02
Rot. Bonds2

About 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile

2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile (PubChem CID 84764251) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
PubChem CID84764251
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
SMILESCCc1nccc(CC#N)c1C
InChIInChI=1S/C10H12N2/c1-3-10-8(2)9(4-6-11)5-7-12-10/h5,7H,3-4H2,1-2H3
InChIKeyYYHYHDZIOIXYDD-UHFFFAOYSA-N
XLogP2.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
2-(1,5-naphthyridin-4-yl)acetonitrile
CID 131154765
3-(chloromethyl)-2,4-diethylpyridine
CID 168797457
2-(2-fluoropyrimidin-4-yl)acetonitrile
CID 130909769
2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 118855296
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-[4-(4-ethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900943
2-[3-bromo-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704175
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900942
2-(1-hexylisoquinolin-5-yl)acetonitrile
CID 20533917
N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide
CID 138486245
2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile
CID 84763973

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile (CID 84764251) is 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile is CCc1nccc(CC#N)c1C.
What is the InChIKey of 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile?
The InChIKey is YYHYHDZIOIXYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-10-8(2)9(4-6-11)5-7-12-10/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile?
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile is sourced from PubChem (CID 84764251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).