5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile

C10H4FN3 — CID 170474754

IUPAC5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile
SMILESN#CCC#Cc1cnc(C#N)c(F)c1
InChIInChI=1S/C10H4FN3/c11-9-5-8(3-1-2-4-12)7-14-10(9)6-13/h5,7H,2H2
InChIKeyDENZHOFVFCSQLF-UHFFFAOYSA-N
MW185.16 g/mol
LogP1.36
Rot. Bonds

About 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile

5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile (PubChem CID 170474754) has the molecular formula C10H4FN3 and a molecular weight of 185.16 g/mol. Its IUPAC name is 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile
PubChem CID170474754
Molecular FormulaC10H4FN3
Molecular Weight185.16 g/mol
Exact Mass185.04
IUPAC Name5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile
SMILESN#CCC#Cc1cnc(C#N)c(F)c1
InChIInChI=1S/C10H4FN3/c11-9-5-8(3-1-2-4-12)7-14-10(9)6-13/h5,7H,2H2
InChIKeyDENZHOFVFCSQLF-UHFFFAOYSA-N
XLogP1.36
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile (CID 170474754) is 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile is N#CCC#Cc1cnc(C#N)c(F)c1.
What is the InChIKey of 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile?
The InChIKey is DENZHOFVFCSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FN3/c11-9-5-8(3-1-2-4-12)7-14-10(9)6-13/h5,7H,2H2.
What are the key properties of 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile?
5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile has a molecular weight of 185.16 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 170474754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).