5-fluoro-2-propylpyridine-4-carbonitrile

C9H9FN2 — CID 156855127

IUPAC5-fluoro-2-propylpyridine-4-carbonitrile
SMILESCCCc1cc(C#N)c(F)cn1
InChIInChI=1S/C9H9FN2/c1-2-3-8-4-7(5-11)9(10)6-12-8/h4,6H,2-3H2,1H3
InChIKeyHHYVTMMGZSMGMV-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.04
Rot. Bonds2

About 5-fluoro-2-propylpyridine-4-carbonitrile

5-fluoro-2-propylpyridine-4-carbonitrile (PubChem CID 156855127) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 5-fluoro-2-propylpyridine-4-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-propylpyridine-4-carbonitrile
PubChem CID156855127
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name5-fluoro-2-propylpyridine-4-carbonitrile
SMILESCCCc1cc(C#N)c(F)cn1
InChIInChI=1S/C9H9FN2/c1-2-3-8-4-7(5-11)9(10)6-12-8/h4,6H,2-3H2,1H3
InChIKeyHHYVTMMGZSMGMV-UHFFFAOYSA-N
XLogP2.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethionamide
CID 2761171
Pheniramine
CID 4761
Prothionamide
CID 666418
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2,4-Dimethylpyridine
CID 7936
2-Propylpyridine
CID 69320
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propylpyridine-4-carbonitrile?
The IUPAC name of 5-fluoro-2-propylpyridine-4-carbonitrile (CID 156855127) is 5-fluoro-2-propylpyridine-4-carbonitrile.
What is the SMILES notation for 5-fluoro-2-propylpyridine-4-carbonitrile?
The canonical SMILES for 5-fluoro-2-propylpyridine-4-carbonitrile is CCCc1cc(C#N)c(F)cn1.
What is the InChIKey of 5-fluoro-2-propylpyridine-4-carbonitrile?
The InChIKey is HHYVTMMGZSMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-2-3-8-4-7(5-11)9(10)6-12-8/h4,6H,2-3H2,1H3.
What are the key properties of 5-fluoro-2-propylpyridine-4-carbonitrile?
5-fluoro-2-propylpyridine-4-carbonitrile has a molecular weight of 164.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propylpyridine-4-carbonitrile is sourced from PubChem (CID 156855127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).