4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

C14H10BrF2N3 — CID 81060865

IUPAC4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2c(F)cc(Br)cc2F)c(C#N)c(C)n1
InChIInChI=1S/C14H10BrF2N3/c1-7-3-13(10(6-18)8(2)19-7)20-14-11(16)4-9(15)5-12(14)17/h3-5H,1-2H3,(H,19,20)
InChIKeyGFXZISLVIFNFGA-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.35
Rot. Bonds2

About 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060865) has the molecular formula C14H10BrF2N3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060865
Molecular FormulaC14H10BrF2N3
Molecular Weight338.16 g/mol
Exact Mass337.00
IUPAC Name4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2c(F)cc(Br)cc2F)c(C#N)c(C)n1
InChIInChI=1S/C14H10BrF2N3/c1-7-3-13(10(6-18)8(2)19-7)20-14-11(16)4-9(15)5-12(14)17/h3-5H,1-2H3,(H,19,20)
InChIKeyGFXZISLVIFNFGA-UHFFFAOYSA-N
XLogP4.35
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060865) is 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Nc2c(F)cc(Br)cc2F)c(C#N)c(C)n1.
What is the InChIKey of 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GFXZISLVIFNFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3/c1-7-3-13(10(6-18)8(2)19-7)20-14-11(16)4-9(15)5-12(14)17/h3-5H,1-2H3,(H,19,20).
What are the key properties of 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 338.16 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).