4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile

C12H8ClFN4 — CID 133346590

IUPAC4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(CNc2cncc(Cl)n2)c(F)c1
InChIInChI=1S/C12H8ClFN4/c13-11-6-16-7-12(18-11)17-5-9-2-1-8(4-15)3-10(9)14/h1-3,6-7H,5H2,(H,17,18)
InChIKeyFEEZROFJZQFSPS-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.75
Rot. Bonds3

About 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile

4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile (PubChem CID 133346590) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
PubChem CID133346590
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(CNc2cncc(Cl)n2)c(F)c1
InChIInChI=1S/C12H8ClFN4/c13-11-6-16-7-12(18-11)17-5-9-2-1-8(4-15)3-10(9)14/h1-3,6-7H,5H2,(H,17,18)
InChIKeyFEEZROFJZQFSPS-UHFFFAOYSA-N
XLogP2.75
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
3-fluoro-4-[[(5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 63359185
3-chloro-5-[(4-cyano-2-fluorophenyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 133346588
4-[(5-bromo-2,4-difluoroanilino)methyl]-3-fluorobenzonitrile
CID 102847201
4-[(4-chloro-2-cyanoanilino)methyl]-3-fluorobenzonitrile
CID 63359487
3-fluoro-4-[[(5-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 63359621
3-fluoro-4-[(phthalazin-1-ylamino)methyl]benzonitrile
CID 63359270
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 65418398
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 114842499
2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543250
4-[(2-chloro-5-methylanilino)methyl]-3-fluorobenzonitrile
CID 103768039

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile (CID 133346590) is 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile is N#Cc1ccc(CNc2cncc(Cl)n2)c(F)c1.
What is the InChIKey of 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile?
The InChIKey is FEEZROFJZQFSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-11-6-16-7-12(18-11)17-5-9-2-1-8(4-15)3-10(9)14/h1-3,6-7H,5H2,(H,17,18).
What are the key properties of 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile?
4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile has a molecular weight of 262.68 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 133346590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).