2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile

C14H10ClFN2 — CID 62497066

IUPAC2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile
SMILESCN(c1ccc(F)cc1)c1cccc(Cl)c1C#N
InChIInChI=1S/C14H10ClFN2/c1-18(11-7-5-10(16)6-8-11)14-4-2-3-13(15)12(14)9-17/h2-8H,1H3
InChIKeyRTFLADYZIAWIFK-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.12
Rot. Bonds2

About 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile

2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile (PubChem CID 62497066) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile
PubChem CID62497066
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile
SMILESCN(c1ccc(F)cc1)c1cccc(Cl)c1C#N
InChIInChI=1S/C14H10ClFN2/c1-18(11-7-5-10(16)6-8-11)14-4-2-3-13(15)12(14)9-17/h2-8H,1H3
InChIKeyRTFLADYZIAWIFK-UHFFFAOYSA-N
XLogP4.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile?
The IUPAC name of 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile (CID 62497066) is 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile?
The canonical SMILES for 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile is CN(c1ccc(F)cc1)c1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile?
The InChIKey is RTFLADYZIAWIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-18(11-7-5-10(16)6-8-11)14-4-2-3-13(15)12(14)9-17/h2-8H,1H3.
What are the key properties of 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile?
2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile has a molecular weight of 260.70 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluoro-N-methylanilino)benzonitrile is sourced from PubChem (CID 62497066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).