6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile

C16H15ClN2 — CID 21388867

IUPAC6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
SMILESCCCCc1ccc(-c2cc(Cl)c(C#N)cn2)cc1
InChIInChI=1S/C16H15ClN2/c1-2-3-4-12-5-7-13(8-6-12)16-9-15(17)14(10-18)11-19-16/h5-9,11H,2-4H2,1H3
InChIKeyAPBDAQRJLZPVFS-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.62
Rot. Bonds4

About 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile

6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile (PubChem CID 21388867) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
PubChem CID21388867
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
SMILESCCCCc1ccc(-c2cc(Cl)c(C#N)cn2)cc1
InChIInChI=1S/C16H15ClN2/c1-2-3-4-12-5-7-13(8-6-12)16-9-15(17)14(10-18)11-19-16/h5-9,11H,2-4H2,1H3
InChIKeyAPBDAQRJLZPVFS-UHFFFAOYSA-N
XLogP4.62
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-4-fluoropyrimidine-5-carbonitrile
CID 70492924
2-(4-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 21388807
6-[4-[2-(4-pentylphenyl)ethyl]phenyl]pyridine-3-carbonitrile
CID 19842065
4-[5-(4-butylphenyl)-2-pyridinyl]-2,6-difluorobenzonitrile
CID 70362901
4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
CID 19859304
2-fluoro-4-(5-hexyl-2-pyridinyl)benzonitrile
CID 22008072
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(4-octylphenyl)pyrimidine-5-carbonitrile
CID 21388861
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[6-(4-butylphenyl)-3-pyridinyl]-5-hexylpyrimidine
CID 86172659
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile?
The IUPAC name of 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile (CID 21388867) is 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile?
The canonical SMILES for 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile is CCCCc1ccc(-c2cc(Cl)c(C#N)cn2)cc1.
What is the InChIKey of 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile?
The InChIKey is APBDAQRJLZPVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-3-4-12-5-7-13(8-6-12)16-9-15(17)14(10-18)11-19-16/h5-9,11H,2-4H2,1H3.
What are the key properties of 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile?
6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile is sourced from PubChem (CID 21388867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).