6-(aminomethyl)-5-fluoropyridine-2-carbonitrile

C7H6FN3 — CID 170449568

IUPAC6-(aminomethyl)-5-fluoropyridine-2-carbonitrile
SMILESN#Cc1ccc(F)c(CN)n1
InChIInChI=1S/C7H6FN3/c8-6-2-1-5(3-9)11-7(6)4-10/h1-2H,4,10H2
InChIKeyVTQJFIGQIZZBOU-UHFFFAOYSA-N
MW151.14 g/mol
LogP0.55
Rot. Bonds1

About 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile

6-(aminomethyl)-5-fluoropyridine-2-carbonitrile (PubChem CID 170449568) has the molecular formula C7H6FN3 and a molecular weight of 151.14 g/mol. Its IUPAC name is 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-5-fluoropyridine-2-carbonitrile
PubChem CID170449568
Molecular FormulaC7H6FN3
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Name6-(aminomethyl)-5-fluoropyridine-2-carbonitrile
SMILESN#Cc1ccc(F)c(CN)n1
InChIInChI=1S/C7H6FN3/c8-6-2-1-5(3-9)11-7(6)4-10/h1-2H,4,10H2
InChIKeyVTQJFIGQIZZBOU-UHFFFAOYSA-N
XLogP0.55
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile?
The IUPAC name of 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile (CID 170449568) is 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile is N#Cc1ccc(F)c(CN)n1.
What is the InChIKey of 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile?
The InChIKey is VTQJFIGQIZZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3/c8-6-2-1-5(3-9)11-7(6)4-10/h1-2H,4,10H2.
What are the key properties of 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile?
6-(aminomethyl)-5-fluoropyridine-2-carbonitrile has a molecular weight of 151.14 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 170449568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).