5-butyl-3-methylpyridine-2-carbonitrile

C11H14N2 — CID 157135861

IUPAC5-butyl-3-methylpyridine-2-carbonitrile
SMILESCCCCc1cnc(C#N)c(C)c1
InChIInChI=1S/C11H14N2/c1-3-4-5-10-6-9(2)11(7-12)13-8-10/h6,8H,3-5H2,1-2H3
InChIKeyTWYCGDXVILCMRM-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.60
Rot. Bonds3

About 5-butyl-3-methylpyridine-2-carbonitrile

5-butyl-3-methylpyridine-2-carbonitrile (PubChem CID 157135861) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-butyl-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-butyl-3-methylpyridine-2-carbonitrile
PubChem CID157135861
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-butyl-3-methylpyridine-2-carbonitrile
SMILESCCCCc1cnc(C#N)c(C)c1
InChIInChI=1S/C11H14N2/c1-3-4-5-10-6-9(2)11(7-12)13-8-10/h6,8H,3-5H2,1-2H3
InChIKeyTWYCGDXVILCMRM-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile
CID 130337417
diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile
CID 160582477
(5-butyl-2-chloro-3-pyridinyl)methanol
CID 119083937
5-(3-cyanoprop-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170799631
2-bromo-5-butyl-1,3-dimethylbenzene
CID 67873453
6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
CID 21388867
3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione
CID 12020016
3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile
CID 142465455
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170486897
4-[5-(4-butylphenyl)-2-pyridinyl]-2,6-difluorobenzonitrile
CID 70362901
2-fluoro-4-(5-hexyl-2-pyridinyl)benzonitrile
CID 22008072

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methylpyridine-2-carbonitrile?
The IUPAC name of 5-butyl-3-methylpyridine-2-carbonitrile (CID 157135861) is 5-butyl-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-butyl-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-butyl-3-methylpyridine-2-carbonitrile is CCCCc1cnc(C#N)c(C)c1.
What is the InChIKey of 5-butyl-3-methylpyridine-2-carbonitrile?
The InChIKey is TWYCGDXVILCMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-4-5-10-6-9(2)11(7-12)13-8-10/h6,8H,3-5H2,1-2H3.
What are the key properties of 5-butyl-3-methylpyridine-2-carbonitrile?
5-butyl-3-methylpyridine-2-carbonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 157135861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).