4-(6-methyl-3-pyridinyl)pentanenitrile

C11H14N2 — CID 15032258

IUPAC4-(6-methyl-3-pyridinyl)pentanenitrile
SMILESCc1ccc(C(C)CCC#N)cn1
InChIInChI=1S/C11H14N2/c1-9(4-3-7-12)11-6-5-10(2)13-8-11/h5-6,8-9H,3-4H2,1-2H3
InChIKeySKQRWQPPTQIYQI-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.80
Rot. Bonds3

About 4-(6-methyl-3-pyridinyl)pentanenitrile

4-(6-methyl-3-pyridinyl)pentanenitrile (PubChem CID 15032258) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-(6-methyl-3-pyridinyl)pentanenitrile.

Molecular Properties

Compound Name4-(6-methyl-3-pyridinyl)pentanenitrile
PubChem CID15032258
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-(6-methyl-3-pyridinyl)pentanenitrile
SMILESCc1ccc(C(C)CCC#N)cn1
InChIInChI=1S/C11H14N2/c1-9(4-3-7-12)11-6-5-10(2)13-8-11/h5-6,8-9H,3-4H2,1-2H3
InChIKeySKQRWQPPTQIYQI-UHFFFAOYSA-N
XLogP2.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
4-(4-ethylsulfanylphenyl)pentanenitrile
CID 83935864
(4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide
CID 90931178
2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 11264160
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
4-(4-hexoxyphenyl)pentanenitrile
CID 83932713
(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanamine
CID 55164666
4-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanenitrile
CID 83922145
3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 102927840
5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
CID 59623693
4-(3-chlorophenyl)pentanenitrile
CID 83924586
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-pyridinyl)pentanenitrile?
The IUPAC name of 4-(6-methyl-3-pyridinyl)pentanenitrile (CID 15032258) is 4-(6-methyl-3-pyridinyl)pentanenitrile.
What is the SMILES notation for 4-(6-methyl-3-pyridinyl)pentanenitrile?
The canonical SMILES for 4-(6-methyl-3-pyridinyl)pentanenitrile is Cc1ccc(C(C)CCC#N)cn1.
What is the InChIKey of 4-(6-methyl-3-pyridinyl)pentanenitrile?
The InChIKey is SKQRWQPPTQIYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9(4-3-7-12)11-6-5-10(2)13-8-11/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 4-(6-methyl-3-pyridinyl)pentanenitrile?
4-(6-methyl-3-pyridinyl)pentanenitrile has a molecular weight of 174.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-pyridinyl)pentanenitrile is sourced from PubChem (CID 15032258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).