3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile

C10H4ClFN4 — CID 146417553

IUPAC3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile
SMILESN#Cc1ccc(F)c(Cl)c1-c1cnnnc1
InChIInChI=1S/C10H4ClFN4/c11-10-8(12)2-1-6(3-13)9(10)7-4-14-16-15-5-7/h1-2,4-5H
InChIKeyNOSSXSAOSJDPBQ-UHFFFAOYSA-N
MW234.62 g/mol
LogP2.20
Rot. Bonds1

About 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile

3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile (PubChem CID 146417553) has the molecular formula C10H4ClFN4 and a molecular weight of 234.62 g/mol. Its IUPAC name is 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile
PubChem CID146417553
Molecular FormulaC10H4ClFN4
Molecular Weight234.62 g/mol
Exact Mass234.01
IUPAC Name3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile
SMILESN#Cc1ccc(F)c(Cl)c1-c1cnnnc1
InChIInChI=1S/C10H4ClFN4/c11-10-8(12)2-1-6(3-13)9(10)7-4-14-16-15-5-7/h1-2,4-5H
InChIKeyNOSSXSAOSJDPBQ-UHFFFAOYSA-N
XLogP2.20
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.62
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile?
The IUPAC name of 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile (CID 146417553) is 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile.
What is the SMILES notation for 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile?
The canonical SMILES for 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile is N#Cc1ccc(F)c(Cl)c1-c1cnnnc1.
What is the InChIKey of 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile?
The InChIKey is NOSSXSAOSJDPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClFN4/c11-10-8(12)2-1-6(3-13)9(10)7-4-14-16-15-5-7/h1-2,4-5H.
What are the key properties of 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile?
3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile has a molecular weight of 234.62 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-2-(triazin-5-yl)benzonitrile is sourced from PubChem (CID 146417553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).