5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile

C10H11FN4 — CID 177335038

IUPAC5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCNCC2)c(F)c1
InChIInChI=1S/C10H11FN4/c11-9-5-8(6-12)7-14-10(9)15-3-1-13-2-4-15/h5,7,13H,1-4H2
InChIKeyBGRQNUNFQRJFEC-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.50
Rot. Bonds1

About 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile

5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile (PubChem CID 177335038) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
PubChem CID177335038
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCNCC2)c(F)c1
InChIInChI=1S/C10H11FN4/c11-9-5-8(6-12)7-14-10(9)15-3-1-13-2-4-15/h5,7,13H,1-4H2
InChIKeyBGRQNUNFQRJFEC-UHFFFAOYSA-N
XLogP0.50
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 175475719
1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272560
2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine
CID 159468472
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
CID 123677104
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine
CID 176811584
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 176693130
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 122160364
5-amino-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 103467481

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile (CID 177335038) is 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile is N#Cc1cnc(N2CCNCC2)c(F)c1.
What is the InChIKey of 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile?
The InChIKey is BGRQNUNFQRJFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-9-5-8(6-12)7-14-10(9)15-3-1-13-2-4-15/h5,7,13H,1-4H2.
What are the key properties of 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile?
5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile has a molecular weight of 206.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 177335038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).