4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile

C22H27FN2 — CID 19859304

IUPAC4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
SMILESCCCCCCCCCCc1ccc(-c2ccc(C#N)c(F)c2)nc1
InChIInChI=1S/C22H27FN2/c1-2-3-4-5-6-7-8-9-10-18-11-14-22(25-17-18)19-12-13-20(16-24)21(23)15-19/h11-15,17H,2-10H2,1H3
InChIKeyVILMSWVEFXWIBK-UHFFFAOYSA-N
MW338.47 g/mol
LogP6.44
Rot. Bonds10

About 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile

4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile (PubChem CID 19859304) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
PubChem CID19859304
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
SMILESCCCCCCCCCCc1ccc(-c2ccc(C#N)c(F)c2)nc1
InChIInChI=1S/C22H27FN2/c1-2-3-4-5-6-7-8-9-10-18-11-14-22(25-17-18)19-12-13-20(16-24)21(23)15-19/h11-15,17H,2-10H2,1H3
InChIKeyVILMSWVEFXWIBK-UHFFFAOYSA-N
XLogP6.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(5-hexyl-2-pyridinyl)benzonitrile
CID 22008072
2-fluoro-4-[2-[1-fluoro-6-(5-pentyl-2-pyridinyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139873527
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
(4-cyano-3-fluorophenyl) 5-(5-butyl-2-pyridinyl)pyridine-2-carboxylate
CID 90209311
4-[[4-(5-decylpyrimidin-2-yl)phenyl]methoxy]-2-fluorobenzonitrile
CID 21288785
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzonitrile
CID 90209321
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
(4-cyano-3-fluorophenyl) 5-octylpyridine-2-carboxylate
CID 54348314

Frequently Asked Questions

What is the IUPAC name of 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile (CID 19859304) is 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile is CCCCCCCCCCc1ccc(-c2ccc(C#N)c(F)c2)nc1.
What is the InChIKey of 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile?
The InChIKey is VILMSWVEFXWIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2/c1-2-3-4-5-6-7-8-9-10-18-11-14-22(25-17-18)19-12-13-20(16-24)21(23)15-19/h11-15,17H,2-10H2,1H3.
What are the key properties of 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile?
4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile has a molecular weight of 338.47 g/mol, XLogP of 6.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile is sourced from PubChem (CID 19859304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).